SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '703'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
13GS_A_SASA211_1
(GLUTATHIONE
S-TRANSFERASE)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 10 PRO A 277
VAL A 280
VAL A  49
ILE A 268
GLY A  20
 None
None
None
None
K  A 703 (-3.9A)
 1.26A 13gsA-3bolA:
undetectable		 13gsA-3bolA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
13GS_B_SASB211_1
(GLUTATHIONE
S-TRANSFERASE)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 9 PRO A 277
VAL A 280
VAL A  49
ILE A 268
GLY A  20
 None
None
None
None
K  A 703 (-3.9A)
 1.26A 13gsB-3bolA:
undetectable		 13gsB-3bolA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AJ6_A_NOVA1_1
(GYRASE)		 3sl2 SENSOR HISTIDINE
KINASE YYCG
(Bacillus
subtilis) 		5 / 9 ASN A 503
ASP A 533
ILE A 538
PRO A 539
THR A 592
 MG  A 701 ( 2.5A)
ATP  A 703 (-3.5A)
ATP  A 703 (-4.5A)
None
ATP  A 703 (-3.9A)
 0.59A 1aj6A-3sl2A:
6.2		 1aj6A-3sl2A:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		8 / 8 HIS A  56
ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-3.1A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.50A 1aq7A-1pq5A:
34.1		 1aq7A-1pq5A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 LYS A 371
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 1axwA-5t0lA:
38.8		 1axwA-5t0lA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 11 LYS A 371
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.69A 1axwB-5t0lA:
38.9		 1axwB-5t0lA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 11 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.59A 1b02A-5t0lA:
34.7		 1b02A-5t0lA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1B2I_A_AMHA84_1
(PROTEIN
(PLASMINOGEN))		 3edy TRIPEPTIDYL-PEPTIDAS
E 1
(Homo
sapiens) 		4 / 7 TYR A 441
ASP A 528
GLU A 529
ARG A 371
 None
None
None
EDO  A 703 ( 4.6A)
 1.43A 1b2iA-3edyA:
undetectable		 1b2iA-3edyA:
8.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 9 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.40A 1bcuH-1pq5A:
33.3		 1bcuH-1pq5A:
34.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 8 HIS A 111
HIS A 401
HIS A  64
HIS A 451
 CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
 0.99A 1bzmA-1hfuA:
undetectable		 1bzmA-1hfuA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		6 / 12 TYR A 105
ARG A 239
GLU A 295
HIS A 368
ASP A 369
ARG A 460
 GLC  A 703 (-3.5A)
GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 ( 4.6A)
 0.84A 1dedB-4hozA:
26.8		 1dedB-4hozA:
24.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 9 HIS A  56
ASP A 189
SER A 195
TRP A 212
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
None
ARG  A 703 (-2.6A)
 0.40A 1dwcH-1pq5A:
32.4		 1dwcH-1pq5A:
34.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 12 ALA A 425
TYR A 426
ASP A 351
GLU A 429
THR A 500
 None
MG  A 701 ( 4.8A)
MG  A 703 (-2.4A)
MG  A 701 (-4.6A)
MG  A 702 ( 2.7A)
 1.24A 1dy4A-1n21A:
undetectable		 1dy4A-1n21A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		6 / 9 TYR A 163
PHE A 191
GLY A 274
ASP A 313
ASP A 393
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 703 (-3.0A)
GOL  A 706 ( 3.8A)
 0.98A 1e9lA-5zl9A:
42.2		 1e9lA-5zl9A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		7 / 9 TYR A 163
PHE A 191
GLY A 274
ASP A 313
MET A 390
TYR A 392
ASP A 393
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
 0.68A 1e9lA-5zl9A:
42.2		 1e9lA-5zl9A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 134
HIS A 456
HIS A 401
HIS A  96
 CU  A 702 (-3.1A)
CU  A 701 (-3.3A)
CU  A 703 (-3.4A)
CU  A 702 ( 3.2A)
 0.98A 1e9yB-3abgA:
undetectable		 1e9yB-3abgA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 456
HIS A 134
HIS A  94
HIS A 403
 CU  A 701 (-3.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
 0.91A 1e9yB-3abgA:
undetectable		 1e9yB-3abgA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 5 THR A 102
ASP A 253
HIS A 220
HIS A  98
 None
FE  A 703 (-2.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-3.2A)
 1.21A 1ei6A-2ibnA:
undetectable		 1ei6A-2ibnA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 8 HIS A 399
HIS A 453
HIS A 451
HIS A 401
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
 0.94A 1ei6D-1hfuA:
0.0		 1ei6D-1hfuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 8 ASP A 124
HIS A 123
HIS A 220
HIS A  98
 FE  A 704 (-2.5A)
FE  A 703 (-3.3A)
FE  A 704 ( 3.4A)
FE  A 703 (-3.2A)
 0.75A 1ei6D-2ibnA:
undetectable		 1ei6D-2ibnA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_FFOA1293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1u6z EXOPOLYPHOSPHATASE
(Escherichia
coli) 		3 / 3 SER A 264
GLU A 265
GLU A 266
 SO4  A 703 (-2.7A)
None
None
 0.53A 1eqbD-1u6zA:
undetectable		 1eqbD-1u6zA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_C_FFOC3293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1u6z EXOPOLYPHOSPHATASE
(Escherichia
coli) 		3 / 3 SER A 264
GLU A 265
GLU A 266
 SO4  A 703 (-2.7A)
None
None
 0.52A 1eqbB-1u6zA:
undetectable		 1eqbB-1u6zA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		7 / 12 HIS A  56
ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.54A 1etrH-1pq5A:
32.5		 1etrH-1pq5A:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.38A 1f5lA-1pq5A:
34.0		 1f5lA-1pq5A:
33.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 12 VAL A  82
GLY A  81
HIS A 109
SER A 110
PHE A 449
 None
None
CU  A 703 (-3.2A)
None
None
 1.47A 1fdsA-1hfuA:
undetectable		 1fdsA-1hfuA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 6fmq -
(-) 		5 / 12 HIS A 437
GLY A 430
ASN A 414
GLY A 378
MET A 456
 ACT  A 703 (-4.3A)
None
None
None
None
 1.28A 1ffyA-6fmqA:
undetectable		 1ffyA-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FWE_C_HAEC989_1
(UREASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 6 HIS A 123
HIS A  98
HIS A 194
HIS A 220
ASP A 253
 FE  A 703 (-3.3A)
FE  A 703 (-3.2A)
FE  A 704 ( 3.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-2.5A)
 1.15A 1fweC-2ibnA:
undetectable		 1fweC-2ibnA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		5 / 11 SER A 390
GLY A 396
ASN A 399
GLY A 395
ASP A 391
 None
None
None
None
SO4  A 703 (-4.5A)
 1.40A 1ho5A-5ic7A:
undetectable		 1ho5A-5ic7A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 5dfa BETA-GALACTOSIDASE
(Geobacillus
stearothermophil
us) 		5 / 12 PHE A 389
ASN A  23
GLY A 375
TYR A 287
ALA A 323
 None
None
None
GOL  A 703 (-4.8A)
GOL  A 703 ( 4.7A)
 1.17A 1hvyA-5dfaA:
undetectable		 1hvyA-5dfaA:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.53A 1hvyA-5t0lA:
19.8		 1hvyA-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 1hvyA-5t0lA:
19.8		 1hvyA-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.48A 1hvyB-5t0lA:
45.3		 1hvyB-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 1hvyB-5t0lA:
45.3		 1hvyB-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.54A 1hvyC-5t0lA:
20.1		 1hvyC-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.57A 1hvyD-5t0lA:
45.2		 1hvyD-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.60A 1hvyD-5t0lA:
45.2		 1hvyD-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 9 PHE A 374
GLU A 381
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 1i00A-5t0lA:
41.4		 1i00A-5t0lA:
34.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 9 PHE A 374
GLU A 381
ILE A 402
TRP A 403
LEU A 516
GLY A 517
PHE A 520
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.72A 1i00A-5t0lA:
41.4		 1i00A-5t0lA:
34.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 9 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.59A 1i00B-5t0lA:
19.6		 1i00B-5t0lA:
34.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		4 / 7 HIS A 497
SER A 359
ASP A 360
PHE A 463
 ZN  A 703 ( 3.5A)
None
FE  A 702 ( 3.0A)
None
 1.27A 1ismB-5iheA:
undetectable		 1ismB-5iheA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		8 / 12 THR 1 466
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 ( 4.6A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.41A 1j36A-1y791:
19.7		 1j36A-1y791:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		8 / 12 THR 1 466
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 ( 4.6A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.41A 1j36B-1y791:
19.8		 1j36B-1y791:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5opq 3,6-ANHYDRO-D-GALACT
OSIDASE
(Zobellia
galactanivorans) 		5 / 11 GLN A 566
GLY A 532
GLU A 531
GLY A 519
THR A 534
 TRS  A 703 ( 3.0A)
None
TRS  A 703 ( 4.6A)
None
CL  A 704 ( 4.4A)
 0.98A 1jg3A-5opqA:
undetectable		 1jg3A-5opqA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5opq 3,6-ANHYDRO-D-GALACT
OSIDASE
(Zobellia
galactanivorans) 		5 / 11 GLN A 566
GLY A 532
GLU A 531
GLY A 519
THR A 534
 TRS  A 703 ( 3.0A)
None
TRS  A 703 ( 4.6A)
None
CL  A 704 ( 4.4A)
 0.99A 1jg3B-5opqA:
undetectable		 1jg3B-5opqA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 5j47 LARGE T ANTIGEN
(Human
polyomavirus
2) 		4 / 8 ARG A 555
GLY A 432
THR A 435
GLN A 571
 6JJ  A 703 (-3.3A)
6JJ  A 703 ( 4.1A)
6JJ  A 703 (-3.7A)
None
 0.79A 1jr1B-5j47A:
undetectable		 1jr1B-5j47A:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.67A 1ju6A-5t0lA:
44.8		 1ju6A-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 9 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.56A 1ju6B-5t0lA:
44.8		 1ju6B-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.69A 1ju6C-5t0lA:
44.8		 1ju6C-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 LYS A 371
PHE A 374
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.2A)
None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.53A 1ju6D-5t0lA:
44.8		 1ju6D-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujA-5t0lA:
44.1		 1jujA-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.51A 1jujA-5t0lA:
44.1		 1jujA-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujB-5t0lA:
44.1		 1jujB-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.52A 1jujB-5t0lA:
44.1		 1jujB-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujC-5t0lA:
44.0		 1jujC-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.52A 1jujC-5t0lA:
44.0		 1jujC-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujD-5t0lA:
44.1		 1jujD-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.51A 1jujD-5t0lA:
44.1		 1jujD-5t0lA:
37.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI3_A_PE2A1_1
(THYMIDINE KINASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 HIS A 582
TYR A 412
GLN A 537
TYR A 514
GLU A 410
 FE  A 703 ( 3.3A)
None
None
CO3  A 701 ( 3.8A)
None
 1.30A 1ki3A-1jnfA:
0.0		 1ki3A-1jnfA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI3_A_PE2A1_1
(THYMIDINE KINASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 12 HIS E 582
TYR E 412
GLN E 537
TYR E 514
GLU E 410
 FE  E 703 ( 3.3A)
None
None
CO3  E 701 ( 3.8A)
None
 1.30A 1ki3A-1suvE:
0.0		 1ki3A-1suvE:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.90A 1kiaA-5wp4A:
16.4		 1kiaA-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.91A 1kiaD-5wp4A:
15.9		 1kiaD-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		 3sl2 SENSOR HISTIDINE
KINASE YYCG
(Bacillus
subtilis) 		5 / 12 ASN A 503
ASP A 533
ILE A 538
PRO A 539
THR A 592
 MG  A 701 ( 2.5A)
ATP  A 703 (-3.5A)
ATP  A 703 (-4.5A)
None
ATP  A 703 (-3.9A)
 0.76A 1kijB-3sl2A:
undetectable		 1kijB-3sl2A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 4gfj TOPOISOMERASE V
(Methanopyrus
kandleri) 		4 / 7 SER A 322
ASP A 320
GLU A 375
GLU A 215
 GOL  A 703 (-2.8A)
None
None
None
 0.94A 1knyA-4gfjA:
2.3
1knyB-4gfjA:
3.1		 1knyA-4gfjA:
17.23
1knyB-4gfjA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		5 / 12 ALA A 457
VAL A 432
MET A 209
TYR A 206
ARG A 238
 None
GOL  A 704 ( 4.8A)
None
MLI  A 703 (-4.3A)
MLI  A 703 ( 4.8A)
 1.35A 1kt4A-6b3bA:
1.8		 1kt4A-6b3bA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		5 / 12 HIS A 299
VAL A 254
GLY A 252
ASN A 282
ILE A 412
 None
HEZ  A 703 ( 4.5A)
None
None
None
 1.21A 1kxhA-5ya1A:
undetectable		 1kxhA-5ya1A:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3edy TRIPEPTIDYL-PEPTIDAS
E 1
(Homo
sapiens) 		3 / 3 ARG A 375
ARG A 371
ARG A  28
 None
EDO  A 703 ( 4.6A)
None
 1.02A 1l7fA-3edyA:
undetectable		 1l7fA-3edyA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3edy TRIPEPTIDYL-PEPTIDAS
E 1
(Homo
sapiens) 		3 / 3 ARG A 375
ARG A 371
ARG A  28
 None
EDO  A 703 ( 4.6A)
None
 1.01A 1l7hA-3edyA:
undetectable		 1l7hA-3edyA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MCB_P_DHIP3_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-L-GLN-D-PHE
-L-HIS-D-PRO-OH)		 5mg8 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
5
(Schizosaccharomy
ces
pombe) 		4 / 5 TYR A 509
TYR A 440
GLU A 437
GLN A 444
 GOL  A 703 ( 4.8A)
None
None
None
 1.31A 1mcbA-5mg8A:
0.0
1mcbB-5mg8A:
0.0
1mcbP-5mg8A:
undetectable		 1mcbA-5mg8A:
23.06
1mcbB-5mg8A:
23.06
1mcbP-5mg8A:
1.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2
(Homo
sapiens;
Mus
musculus) 		5 / 11 ALA A2455
HIS A2436
LEU A2444
ALA A2439
LEU A2483
 None
None
SO4  A2703 (-4.5A)
None
None
 1.33A 1mjlA-5y4dA:
undetectable
1mjlB-5y4dA:
undetectable		 1mjlA-5y4dA:
10.65
1mjlB-5y4dA:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		7 / 12 TYR A 105
HIS A 145
PHE A 205
ARG A 239
GLU A 295
HIS A 368
ASP A 369
 GLC  A 703 (-3.5A)
GLC  A 703 (-4.3A)
GLC  A 703 (-3.7A)
GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
 1.00A 1mxdA-4hozA:
22.6		 1mxdA-4hozA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1
(Homo
sapiens) 		4 / 8 SER B 435
ASN B 431
GLU B 554
LYS B 478
 None
None
EDO  B 703 (-2.9A)
EDO  B 703 ( 3.4A)
 1.16A 1mxgA-4ni2B:
undetectable		 1mxgA-4ni2B:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Mus
musculus) 		4 / 5 LEU A1458
VAL A1478
CYH A1479
CYH A1481
 None
None
ZN  A1703 (-2.3A)
ZN  A1703 (-2.3A)
 1.00A 1mz9D-5gutA:
undetectable		 1mz9D-5gutA:
4.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_A_SAMA401_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4hhr ALPHA-DIOXYGENASE
(Arabidopsis
thaliana) 		4 / 4 HIS A 163
ASP A 220
SER A 107
ASP A 264
 IMD  A 702 (-3.7A)
CA  A 703 (-2.9A)
None
None
 1.45A 1n2xA-4hhrA:
undetectable		 1n2xA-4hhrA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_A_SAMA401_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4kvl FATTY ACID
ALPHA-OXIDASE
(Oryza
sativa) 		4 / 4 HIS A 157
ASP A 214
SER A 101
ASP A 257
 IMD  A 705 (-3.8A)
CA  A 703 (-2.9A)
None
None
 1.39A 1n2xA-4kvlA:
undetectable		 1n2xA-4kvlA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 585
GLY A 473
HIS A 472
GLY A 582
ASN A 501
 None
None
None
None
K  A 703 (-3.4A)
 0.90A 1n2xB-5l9wA:
undetectable		 1n2xB-5l9wA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 11 ILE A 241
GLU A 295
LYS A 290
TYR A 217
GLU A 243
 SF4  A 703 ( 4.6A)
None
None
None
None
 1.42A 1n6cA-5odrA:
undetectable		 1n6cA-5odrA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.82A 1nbhA-5wp4A:
15.6		 1nbhA-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.82A 1nbhB-5wp4A:
17.3		 1nbhB-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.81A 1nbhC-5wp4A:
17.4		 1nbhC-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.82A 1nbhD-5wp4A:
17.2		 1nbhD-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 1.07A 1nbiC-5wp4A:
15.5		 1nbiC-5wp4A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 1.05A 1nbiD-5wp4A:
15.5		 1nbiD-5wp4A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		5 / 12 THR A 224
GLY A 260
GLY A 257
VAL A 452
ALA A 457
 None
None
HEZ  A 703 ( 4.2A)
None
None
 0.91A 1nv8A-5ya1A:
undetectable		 1nv8A-5ya1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		5 / 12 GLU B 445
ALA B 452
PHE B 464
LEU B 470
PHE B 479
 None
None
None
None
K  B 703 ( 4.8A)
 1.16A 1nw3A-1ovlB:
undetectable		 1nw3A-1ovlB:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
 ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
 1.06A 1nx9A-4qjyA:
undetectable		 1nx9A-4qjyA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
 ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
 1.05A 1nx9B-4qjyA:
undetectable		 1nx9B-4qjyA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
 ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
 1.08A 1nx9C-4qjyA:
undetectable		 1nx9C-4qjyA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
 ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
 1.08A 1nx9D-4qjyA:
undetectable		 1nx9D-4qjyA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		3 / 3 ASP A 404
HIS A 451
HIS A 362
 ZN  A 703 (-2.7A)
D5M  A 701 (-4.1A)
FE  A 702 ( 3.4A)
 0.66A 1oe1A-5iheA:
undetectable		 1oe1A-5iheA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		3 / 3 ASP A 404
HIS A 451
HIS A 362
 ZN  A 703 (-2.7A)
D5M  A 701 (-4.1A)
FE  A 702 ( 3.4A)
 0.64A 1oe3A-5iheA:
undetectable		 1oe3A-5iheA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3sl2 SENSOR HISTIDINE
KINASE YYCG
(Bacillus
subtilis) 		4 / 7 ILE A 536
GLY A 537
PRO A 509
ASN A 503
 None
ATP  A 703 (-4.3A)
None
MG  A 701 ( 2.5A)
 0.88A 1oniG-3sl2A:
undetectable
1oniI-3sl2A:
undetectable		 1oniG-3sl2A:
20.88
1oniI-3sl2A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens) 		5 / 7 ILE A 259
GLY A 261
PRO A 258
ASN A 296
ARG A 325
 None
None
None
None
CIT  A 703 (-3.6A)
 1.32A 1oniG-6fcxA:
undetectable
1oniI-6fcxA:
undetectable		 1oniG-6fcxA:
undetectable
1oniI-6fcxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_B_DEXB2999_1
(GLUCOCORTICOID
RECEPTOR)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		5 / 12 MET A  92
ASN A 189
GLY A 191
GLN A 141
LEU A 145
 HEZ  A 703 (-4.1A)
None
None
None
None
 1.45A 1p93B-5ya1A:
undetectable		 1p93B-5ya1A:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_C_DEXC3999_1
(GLUCOCORTICOID
RECEPTOR)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		5 / 12 MET A  92
ASN A 189
GLY A 191
GLN A 141
LEU A 145
 HEZ  A 703 (-4.1A)
None
None
None
None
 1.50A 1p93C-5ya1A:
undetectable		 1p93C-5ya1A:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P9G_A_ACTA42_0
(EAFP 2)		 5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300
(Homo
sapiens) 		3 / 3 CYH A1258
ARG A1645
CYH A1164
 ZN  A1703 (-2.3A)
None
ZN  A1703 (-2.3A)
 1.47A 1p9gA-5lkzA:
undetectable		 1p9gA-5lkzA:
5.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		 5uv2 (+)-LIMONENE
SYNTHASE
(Citrus
sinensis) 		5 / 11 PHE A 484
THR A 446
THR A 340
ASP A 488
ILE A 445
 LA6  A 704 (-4.6A)
LA6  A 704 (-3.5A)
LA6  A 704 (-3.4A)
MN  A 703 ( 2.8A)
None
 0.98A 1phgA-5uv2A:
undetectable		 1phgA-5uv2A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		 1ps9 2,4-DIENOYL-COA
REDUCTASE
(Escherichia
coli) 		5 / 12 VAL A 621
ILE A 499
ILE A 505
VAL A 486
LEU A 487
 None
None
NAP  A 703 (-3.4A)
None
FAD  A 701 (-4.7A)
 0.96A 1qhsA-1ps9A:
2.2		 1qhsA-1ps9A:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.70A 1rjoA-1hfuA:
undetectable		 1rjoA-1hfuA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.57A 1rtsA-5t0lA:
42.4		 1rtsA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.44A 1rtsA-5t0lA:
42.4		 1rtsA-5t0lA:
34.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 5h05 AMYP
(marine
metagenome) 		4 / 7 ILE A 310
ASP A 303
GLY A 302
TYR A 351
 None
CA  A 703 (-3.4A)
None
None
 0.87A 1rtsB-5h05A:
undetectable		 1rtsB-5h05A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.31A 1rtsB-5t0lA:
43.3		 1rtsB-5t0lA:
34.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2
(Homo
sapiens) 		5 / 12 ASN B  39
ASP B  42
ASP B  68
MET B  73
THR B 197
 MG  B 703 ( 2.7A)
None
ATP  B 702 (-3.4A)
ATP  B 702 (-3.6A)
ATP  B 702 (-3.7A)
 1.03A 1s14A-5ofbB:
9.5		 1s14A-5ofbB:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.83A 1tlsA-5t0lA:
39.0		 1tlsA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.75A 1tlsB-5t0lA:
39.1		 1tlsB-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 5ikk HISTONE DEACETYLASE
CLR3
(Schizosaccharomy
ces
pombe) 		5 / 12 LEU A 363
PRO A 191
HIS A  77
HIS A  68
VAL A  84
 None
None
ZN  A 703 (-2.8A)
ZN  A 703 (-3.2A)
None
 1.17A 1tmxB-5ikkA:
undetectable		 1tmxB-5ikkA:
18.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.28A 1tnlA-1pq5A:
34.0		 1tnlA-1pq5A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.80A 1tsnA-5t0lA:
39.0		 1tsnA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 SER A 391
ILE A 393
LEU A 385
GLY A 382
GLY A 381
 SO4  A 709 (-3.9A)
None
None
None
ZN  A 703 ( 4.8A)
 0.90A 1uakA-5cbmA:
2.6		 1uakA-5cbmA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_A_CUA701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.74A 1w2zA-1hfuA:
undetectable		 1w2zA-1hfuA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.69A 1w2zB-1hfuA:
undetectable		 1w2zB-1hfuA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.69A 1w2zC-1hfuA:
undetectable		 1w2zC-1hfuA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.67A 1w2zD-1hfuA:
undetectable		 1w2zD-1hfuA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_D_TFPD207_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2qib TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR
(Streptomyces
coelicolor) 		4 / 8 LEU A 208
PHE A 186
MET A 190
SER A 193
 None
P6G  A 703 (-4.1A)
None
None
 1.02A 1wrlC-2qibA:
undetectable
1wrlD-2qibA:
undetectable		 1wrlC-2qibA:
17.14
1wrlD-2qibA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_F_TFPF211_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2qib TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR
(Streptomyces
coelicolor) 		4 / 7 LEU A 137
PHE A 186
MET A 190
SER A 193
 None
P6G  A 703 (-4.1A)
None
None
 0.86A 1wrlE-2qibA:
undetectable
1wrlF-2qibA:
undetectable		 1wrlE-2qibA:
17.14
1wrlF-2qibA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 12 HIS A 401
HIS A 458
LEU A  95
SER A 127
GLN A 126
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
None
None
None
 1.48A 1xlxA-3abgA:
undetectable		 1xlxA-3abgA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_A_ADNA433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.88A 1xwfA-4dg8A:
3.5		 1xwfA-4dg8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_B_ADNB433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.87A 1xwfB-4dg8A:
3.3		 1xwfB-4dg8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_C_ADNC433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.85A 1xwfC-4dg8A:
undetectable		 1xwfC-4dg8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_D_ADND433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.86A 1xwfD-4dg8A:
3.5		 1xwfD-4dg8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		 2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL
(Rattus
norvegicus) 		5 / 12 ALA A 367
MET A 342
LEU A 599
ILE A 443
HIS A 337
 None
None
D12  A1703 (-4.2A)
None
None
 1.06A 1xzxX-2h4tA:
undetectable		 1xzxX-2h4tA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZX_X_T3X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		 1ft4 SOLUBLE TUMOR
NECROSIS FACTOR
RECEPTOR 1
(Homo
sapiens) 		3 / 3 PHE A  60
ARG A  68
ASN A  65
 703  A 962 ( 4.9A)
None
None
 0.86A 1xzxX-1ft4A:
undetectable		 1xzxX-1ft4A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		 4s2t PROTEIN APP-1
(Caenorhabditis
elegans) 		4 / 4 LEU P 187
SER P 309
LEU P 228
LEU P 210
 SO4  P 703 (-3.8A)
None
None
None
 1.00A 1yajA-4s2tP:
undetectable		 1yajA-4s2tP:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 6 ALA A  24
SER A  27
ASN A 101
ILE A 102
ASP A 103
 NAD  A 703 (-3.8A)
None
None
None
None
 0.14A 1yc2A-1s7gA:
42.4		 1yc2A-1s7gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		4 / 5 ALA A  24
ASN A 101
ILE A 102
ASP A 103
 NAD  A 703 (-3.8A)
None
None
None
 0.17A 1yc2D-1s7gA:
40.2		 1yc2D-1s7gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		6 / 7 ALA A  24
SER A  27
ILE A  32
ASN A 101
ILE A 102
ASP A 103
 NAD  A 703 (-3.8A)
None
1PE  A 504 ( 4.7A)
None
None
None
 0.29A 1yc5A-1s7gA:
27.6		 1yc5A-1s7gA:
42.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 290
GLY A 292
LEU A 313
ASP A 338
ILE A 361
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
None
 0.83A 1zq9B-5wp4A:
12.8		 1zq9B-5wp4A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE
(Dinoroseobacter
shibae) 		5 / 11 LEU A 505
ILE A 566
PHE A 143
ASP A 281
GLY A 283
 None
None
None
COA  A 703 ( 4.4A)
None
 1.25A 1zz1A-5gxdA:
2.5		 1zz1A-5gxdA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		4 / 8 GLY A 459
THR A 456
ALA A 455
VAL A 424
 None
HEZ  A 703 (-4.4A)
HEZ  A 703 (-3.7A)
None
 0.87A 2a1hA-5ya1A:
undetectable
2a1hB-5ya1A:
undetectable		 2a1hA-5ya1A:
13.26
2a1hB-5ya1A:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 8 VAL A 546
TYR A 431
ARG A 641
THR A 463
ALA A 464
 None
FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.37A 2a1hA-1h76A:
0.0
2a1hB-1h76A:
0.0		 2a1hA-1h76A:
19.40
2a1hB-1h76A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		8 / 11 TYR A 163
PHE A 191
GLY A 274
ASP A 313
MET A 390
TYR A 392
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.79A 2a3aA-5zl9A:
6.1		 2a3aA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		9 / 11 TYR A 163
PHE A 191
GLY A 274
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.3A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.47A 2a3aA-5zl9A:
6.1		 2a3aA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		3 / 3 ASP A 393
PHE A 398
ARG A 448
 GOL  A 703 (-3.0A)
None
GOL  A 703 (-4.0A)
 0.39A 2a3aA-5zl9A:
6.1		 2a3aA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2433_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		8 / 9 PHE A 191
GLY A 274
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.3A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.51A 2a3aB-5zl9A:
43.2		 2a3aB-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		7 / 11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
TYR A 392
TYR A 446
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.5A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.93A 2a3bA-5zl9A:
43.0		 2a3bA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		7 / 11 PHE A 191
GLY A 274
TRP A 275
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.69A 2a3bA-5zl9A:
43.0		 2a3bA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		8 / 11 TYR A 163
PHE A 191
GLY A 274
ASP A 313
MET A 390
TYR A 392
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.84A 2a3bA-5zl9A:
43.0		 2a3bA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		8 / 11 TYR A 163
PHE A 191
GLY A 274
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.42A 2a3bA-5zl9A:
43.0		 2a3bA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2435_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		7 / 10 PHE A 191
GLY A 274
ASP A 313
MET A 390
TYR A 392
TYR A 446
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.84A 2a3bB-5zl9A:
43.2		 2a3bB-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2435_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		7 / 10 PHE A 191
GLY A 274
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.38A 2a3bB-5zl9A:
43.2		 2a3bB-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		9 / 12 TYR A 163
TRP A 167
PHE A 191
GLY A 274
ASP A 313
MET A 390
TYR A 392
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 707 (-4.0A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.83A 2a3cA-5zl9A:
13.0		 2a3cA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		9 / 12 TYR A 163
TRP A 167
PHE A 191
GLY A 274
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 707 (-4.0A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.46A 2a3cA-5zl9A:
13.0		 2a3cA-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		8 / 12 TRP A 167
PHE A 191
GLY A 274
ASP A 313
MET A 390
TYR A 392
TYR A 446
TRP A 541
 GOL  A 707 (-4.0A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.84A 2a3cB-5zl9A:
43.2		 2a3cB-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		9 / 12 TRP A 167
PHE A 191
GLY A 274
THR A 276
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 707 (-4.0A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.48A 2a3cB-5zl9A:
43.2		 2a3cB-5zl9A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		4 / 5 LEU A  88
GLY A 191
ALA A  84
ILE A  85
 None
NAD  A 703 (-3.5A)
None
None
 0.84A 2aohB-1s7gA:
undetectable		 2aohB-1s7gA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4lad E3 UBIQUITIN-PROTEIN
LIGASE AMFR
(Homo
sapiens) 		3 / 3 SER B 363
ASP B 340
CYH B 344
 None
OXL  B 703 (-4.9A)
None
 1.10A 2br4E-4ladB:
undetectable		 2br4E-4ladB:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 TYR A 329
ASP A 322
TYR A 550
HIS A 492
 DJN  A 702 (-4.2A)
CA  A 703 (-2.1A)
None
DJN  A 702 (-3.5A)
 1.48A 2bytA-5wzrA:
undetectable		 2bytA-5wzrA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		4 / 7 TYR A 399
TYR A 526
TYR A 431
HIS A 594
 None
CO3  A 701 ( 3.9A)
FE  A 703 ( 4.2A)
FE  A 703 ( 3.4A)
 1.50A 2bytD-1h76A:
undetectable		 2bytD-1h76A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 TYR A 329
ASP A 322
TYR A 550
HIS A 492
 DJN  A 702 (-4.2A)
CA  A 703 (-2.1A)
None
DJN  A 702 (-3.5A)
 1.48A 2bytD-5wzrA:
undetectable		 2bytD-5wzrA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		5 / 11 GLN A 172
LEU A 189
VAL A 277
ALA A 204
LEU A 205
 MG  A 703 ( 4.5A)
None
None
None
None
 1.36A 2c12F-3cfxA:
undetectable		 2c12F-3cfxA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 11 SER A   9
GLY A  12
SER A  13
LEU A  86
ASP A  37
 None
MG  A 703 ( 3.9A)
MG  A 703 (-4.1A)
None
None
 1.45A 2c2bE-2ywrA:
0.7
2c2bF-2ywrA:
4.0		 2c2bE-2ywrA:
18.40
2c2bF-2ywrA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		8 / 12 ALA 1 424
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 (-4.8A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.38A 2c6nA-1y791:
19.8		 2c6nA-1y791:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 3ce2 PUTATIVE PEPTIDASE
(Chlamydia
abortus) 		5 / 12 ALA A 372
HIS A 400
GLU A 401
HIS A 404
GLU A 428
 None
ZN  A 703 (-3.3A)
ZN  A 703 ( 4.7A)
ZN  A 703 (-3.4A)
ZN  A 703 (-2.9A)
 0.65A 2c6nA-3ce2A:
16.8		 2c6nA-3ce2A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 12 HIS A  66
HIS A 111
GLU A 455
THR A 239
TYR A 116
 CU  A 703 (-3.0A)
CU  A 702 (-3.2A)
None
None
None
 1.41A 2c6nB-1hfuA:
undetectable		 2c6nB-1hfuA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 10 TYR A 431
ARG A 641
GLY A 465
THR A 463
ALA A 464
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.0A)
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.49A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 10 TYR A 431
ARG A 641
THR A 463
ALA A 464
VAL A 546
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
None
 1.35A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 10 VAL A 546
TYR A 431
ARG A 641
THR A 463
ALA A 464
 None
FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.39A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 11 TYR A 431
ARG A 641
THR A 463
ALA A 464
VAL A 546
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
None
 1.39A 2cojA-1h76A:
undetectable
2cojB-1h76A:
undetectable		 2cojA-1h76A:
20.61
2cojB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		4 / 7 LEU A 588
PRO A 469
GLY A 398
ASP A 396
 None
None
None
FE  A 703 ( 3.0A)
 1.04A 2ddwB-1h76A:
undetectable		 2ddwB-1h76A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 LEU A 576
PRO A 462
GLY A 394
ASP A 392
 None
None
None
FE  A 703 ( 3.0A)
 1.05A 2ddwB-1jnfA:
undetectable		 2ddwB-1jnfA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		4 / 7 LEU E 576
PRO E 462
GLY E 394
ASP E 392
 None
None
None
FE  E 703 ( 3.0A)
 1.05A 2ddwB-1suvE:
undetectable		 2ddwB-1suvE:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 6 TYR A 105
ASP A 102
PHE A 205
THR A 242
 GLC  A 703 (-3.5A)
GLC  A 703 (-2.7A)
GLC  A 703 (-3.7A)
None
 1.15A 2dttB-4hozA:
undetectable
2dttC-4hozA:
undetectable		 2dttB-4hozA:
14.29
2dttC-4hozA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_D_H4BD1006_1
(HYPOTHETICAL PROTEIN
PH0634)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 10 HIS A 458
HIS A 401
HIS A 456
THR A 141
GLU A 463
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
None
CU  A 701 ( 4.6A)
 1.40A 2dttD-3abgA:
undetectable
2dttF-3abgA:
undetectable		 2dttD-3abgA:
12.50
2dttF-3abgA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 8 TYR A 425
GLY A 513
GLY A 458
THR A 456
ALA A 457
 FE  A 703 ( 4.1A)
None
CO3  A 701 (-4.0A)
CO3  A 701 (-4.2A)
CO3  A 701 (-3.5A)
 1.27A 2ej3C-1jnfA:
undetectable		 2ej3C-1jnfA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 8 TYR E 425
GLY E 513
GLY E 458
THR E 456
ALA E 457
 FE  E 703 ( 4.1A)
None
CO3  E 701 (-4.0A)
CO3  E 701 (-4.2A)
CO3  E 701 (-3.5A)
 1.27A 2ej3C-1suvE:
undetectable		 2ej3C-1suvE:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		3 / 3 SER A 447
THR A 202
GLN A 248
 None
MLI  A 703 ( 4.6A)
GOL  A 704 ( 4.7A)
 0.80A 2fk8A-6b3bA:
12.2		 2fk8A-6b3bA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.75A 2fqeA-1hfuA:
32.0		 2fqeA-1hfuA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.40A 2fqeA-3abgA:
42.3		 2fqeA-3abgA:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.95A 2fqeA-3abgA:
42.3		 2fqeA-3abgA:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.21A 2fqeA-3aw5A:
45.4		 2fqeA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.83A 2fqeA-3aw5A:
45.4		 2fqeA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 459
HIS A 394
HIS A 396
HIS A 134
 C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.3A)
 1.35A 2fqeA-3aw5A:
45.4		 2fqeA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQF_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.82A 2fqfA-1hfuA:
31.8		 2fqfA-1hfuA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQF_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.41A 2fqfA-3abgA:
42.2		 2fqfA-3abgA:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQF_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.92A 2fqfA-3abgA:
42.2		 2fqfA-3abgA:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQF_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.17A 2fqfA-3aw5A:
45.2		 2fqfA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQF_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.81A 2fqfA-3aw5A:
45.2		 2fqfA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.85A 2fqgA-1hfuA:
31.9		 2fqgA-1hfuA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.15A 2fqgA-1hfuA:
31.9		 2fqgA-1hfuA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.37A 2fqgA-3abgA:
42.3		 2fqgA-3abgA:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.90A 2fqgA-3abgA:
42.3		 2fqgA-3abgA:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.20A 2fqgA-3aw5A:
45.3		 2fqgA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.82A 2fqgA-3aw5A:
45.3		 2fqgA-3aw5A:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GLU_A_SAMA301_0
(YCGJ)		 5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE
(Dinoroseobacter
shibae) 		5 / 12 GLY A 287
THR A 391
ALA A 279
THR A 332
ALA A 333
 None
AMP  A 701 (-3.6A)
None
None
COA  A 703 ( 3.8A)
 1.09A 2gluA-5gxdA:
3.0		 2gluA-5gxdA:
17.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 5 ALA A  24
ILE A  32
ASN A 101
ILE A 102
ASP A 103
 NAD  A 703 (-3.8A)
1PE  A 504 ( 4.7A)
None
None
None
 0.34A 2h4jA-1s7gA:
27.1		 2h4jA-1s7gA:
42.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H77_A_T3A1_1
(THRA PROTEIN)		 2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL
(Rattus
norvegicus) 		5 / 12 ALA A 367
MET A 342
LEU A 599
ILE A 443
HIS A 337
 None
None
D12  A1703 (-4.2A)
None
None
 1.06A 2h77A-2h4tA:
undetectable		 2h77A-2h4tA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 TYR A 300
GLU A 108
TYR A 385
GLY A 383
 CE6  A 703 (-3.8A)
CE6  A 703 ( 4.5A)
None
None
 1.21A 2ha4B-4jjjA:
undetectable		 2ha4B-4jjjA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		4 / 8 THR 1 466
HIS 1 469
GLU 1 470
HIS 1 473
 GLY  1 703 ( 4.6A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
 0.24A 2jihB-1y791:
undetectable		 2jihB-1y791:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 GLU A 381
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.47A 2kceA-5t0lA:
38.9		 2kceA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 12 LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.91A 2kceA-5t0lA:
38.9		 2kceA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.52A 2kceB-5t0lA:
39.1		 2kceB-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 6fmq -
(-) 		5 / 12 HIS A 437
SER A 439
GLY A 417
VAL A 377
ALA A 376
 ACT  A 703 (-4.3A)
None
None
None
None
 1.13A 2kceB-6fmqA:
undetectable		 2kceB-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3
(Bifidobacterium
adolescentis) 		4 / 8 VAL A 440
THR A 439
PHE A 317
ASP A 539
 None
GOL  A 703 (-4.5A)
None
None
 1.04A 2kotB-4ye5A:
undetectable		 2kotB-4ye5A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		3 / 3 THR A 534
ASP A 392
SER A 390
 None
FE  A 703 ( 3.0A)
None
 0.85A 2nxeA-1jnfA:
undetectable		 2nxeA-1jnfA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		3 / 3 THR E 534
ASP E 392
SER E 390
 None
FE  E 703 ( 3.0A)
None
 0.85A 2nxeA-1suvE:
undetectable		 2nxeA-1suvE:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		3 / 3 THR A 534
ASP A 392
SER A 390
 None
FE  A 703 ( 3.0A)
None
 0.83A 2nxeB-1jnfA:
undetectable		 2nxeB-1jnfA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		3 / 3 THR E 534
ASP E 392
SER E 390
 None
FE  E 703 ( 3.0A)
None
 0.83A 2nxeB-1suvE:
undetectable		 2nxeB-1suvE:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 1c1e CATALYTIC ANTIBODY
1E9 (HEAVY CHAIN)
(Mus
musculus) 		4 / 7 ASN H  35
GLY H  95
THR H  97
MET H 100
 ENH  H 703 (-3.0A)
ENH  H 703 (-3.3A)
ENH  H 703 (-4.6A)
ENH  H 703 (-3.9A)
 0.46A 2o5yH-1c1eH:
23.8
2o5yL-1c1eH:
16.2		 2o5yH-1c1eH:
81.36
2o5yL-1c1eH:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_A_CUA801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.68A 2oqeA-1hfuA:
undetectable		 2oqeA-1hfuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.67A 2oqeB-1hfuA:
undetectable		 2oqeB-1hfuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.68A 2oqeC-1hfuA:
undetectable		 2oqeC-1hfuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.67A 2oqeD-1hfuA:
undetectable		 2oqeD-1hfuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_E_CUE801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 LEU A 458
HIS A 399
HIS A 451
HIS A 453
 None
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 1.00A 2oqeE-1hfuA:
0.0		 2oqeE-1hfuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.68A 2oqeF-1hfuA:
undetectable		 2oqeF-1hfuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTH_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5low RABPHILIN-3A
(Rattus
norvegicus) 		3 / 3 ASP A 577
TYR A 632
LYS A 636
 CA  A 702 (-3.7A)
None
CA  A 703 ( 3.8A)
 1.08A 2othA-5lowA:
undetectable		 2othA-5lowA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.25A 2otvA-1pq5A:
34.0		 2otvA-1pq5A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 12 GLY A 139
GLY A  43
GLY A 196
GLY A 193
THR A  53
LEU A  52
 None
None
None
ARG  A 703 (-3.6A)
None
None
 1.44A 2oxtD-1pq5A:
undetectable		 2oxtD-1pq5A:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		7 / 12 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
TYR A 225
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
None
 0.31A 2p16A-1pq5A:
32.8		 2p16A-1pq5A:
34.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 5 THR A 336
VAL A 411
GLY A 412
TRP A 439
 6R9  A 704 ( 4.9A)
ATP  A 703 (-4.8A)
ATP  A 703 ( 3.4A)
6R9  A 704 ( 3.5A)
 0.31A 2p2fA-5k8fA:
57.2		 2p2fA-5k8fA:
48.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 TYR A 105
GLN A 109
TYR A 115
ILE A 317
 None
None
None
CE6  A 703 (-4.8A)
 1.30A 2ph9A-4jjjA:
undetectable
2ph9B-4jjjA:
undetectable		 2ph9A-4jjjA:
16.64
2ph9B-4jjjA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
IRON-SULFUR
CLUSTER-BINDING
OXIDOREDUCTASE,
PUTATIVE BENZOYL-COA
REDUCTASE ELECTRON
TRANSFER PROTEIN
(Geobacter
metallireducens;
Geobacter
metallireducens) 		4 / 8 ARG E  53
SER A 185
GLY A  97
MET A  95
 None
MTE  A 703 (-3.0A)
None
None
 1.04A 2qd3A-4z3yE:
undetectable		 2qd3A-4z3yE:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 ILE A 416
ILE A 113
THR A 109
LEU A 611
VAL A 189
 ZPE  A 703 (-4.8A)
ZPE  A 703 ( 4.6A)
ZPE  A 703 ( 4.4A)
ZPE  A 703 ( 4.9A)
None
 1.20A 2qo5A-5lc8A:
undetectable		 2qo5A-5lc8A:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 7 GLY A 298
THR A 268
PHE A 205
PHE A 186
 None
None
GLC  A 703 (-3.7A)
GLC  A 703 (-4.8A)
 0.98A 2qx4A-4hozA:
undetectable
2qx4B-4hozA:
undetectable		 2qx4A-4hozA:
16.82
2qx4B-4hozA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		3 / 3 GLN A 218
THR A 596
TRP A 196
 None
BGC  A 703 (-3.5A)
BGC  A 703 (-3.7A)
 1.08A 2rctA-4tz5A:
undetectable		 2rctA-4tz5A:
14.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]
(Rattus
norvegicus) 		7 / 8 ARG A  87
LYS A 243
LYS A 244
HIS A 264
SER A 286
ASP A 311
ARG A 405
 SPV  A 704 (-3.8A)
SPV  A 704 (-4.5A)
MN  A 701 ( 2.4A)
MN  A 701 (-3.4A)
SPV  A 704 ( 2.8A)
MN  A 701 (-2.5A)
GTP  A 703 ( 2.8A)
 0.33A 2rk8A-4ox2A:
61.0		 2rk8A-4ox2A:
99.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]
(Rattus
norvegicus) 		7 / 7 ARG A  87
LYS A 243
LYS A 244
HIS A 264
SER A 286
ASP A 311
ARG A 405
 SPV  A 704 (-3.8A)
SPV  A 704 (-4.5A)
MN  A 701 ( 2.4A)
MN  A 701 (-3.4A)
SPV  A 704 ( 2.8A)
MN  A 701 (-2.5A)
GTP  A 703 ( 2.8A)
 0.36A 2rk8B-4ox2A:
61.9		 2rk8B-4ox2A:
99.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ARG A 603
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.94A 2tsrA-5t0lA:
42.3		 2tsrA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.44A 2tsrA-5t0lA:
42.3		 2tsrA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 ARG A 603
PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.81A 2tsrC-5t0lA:
42.2		 2tsrC-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 9 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 2tsrD-5t0lA:
19.7		 2tsrD-5t0lA:
34.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 5h05 AMYP
(marine
metagenome) 		5 / 9 ALA A 352
ALA A 260
GLY A 264
GLY A 308
ILE A 310
 CA  A 703 ( 4.9A)
None
None
None
None
 1.09A 2v7bA-5h05A:
undetectable		 2v7bA-5h05A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 5h05 AMYP
(marine
metagenome) 		5 / 9 ALA A 352
ALA A 260
GLY A 264
GLY A 308
ILE A 310
 CA  A 703 ( 4.9A)
None
None
None
None
 1.05A 2v7bB-5h05A:
undetectable		 2v7bB-5h05A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4gfj TOPOISOMERASE V
(Methanopyrus
kandleri) 		5 / 12 VAL A 106
THR A  96
ARG A 144
ILE A 145
SER A 227
 None
None
GOL  A 703 ( 4.5A)
None
None
 1.44A 2vdyA-4gfjA:
undetectable		 2vdyA-4gfjA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.30A 2vinA-1pq5A:
13.7		 2vinA-1pq5A:
33.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_B_RBFB200_1
(DODECIN)		 3muo PROLYL ENDOPEPTIDASE
(Aeromonas
caviae) 		4 / 8 GLN A  58
TYR A 679
HIS A 645
GLN A 647
 None
SUC  A 703 (-3.9A)
None
None
 1.19A 2vxaA-3muoA:
undetectable
2vxaB-3muoA:
undetectable
2vxaK-3muoA:
undetectable		 2vxaA-3muoA:
7.15
2vxaB-3muoA:
7.15
2vxaK-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_E_RBFE200_1
(DODECIN)		 3muo PROLYL ENDOPEPTIDASE
(Aeromonas
caviae) 		4 / 8 GLN A  58
TYR A 679
HIS A 645
GLN A 647
 None
SUC  A 703 (-3.9A)
None
None
 1.19A 2vxaD-3muoA:
undetectable
2vxaE-3muoA:
undetectable
2vxaL-3muoA:
undetectable		 2vxaD-3muoA:
7.15
2vxaE-3muoA:
7.15
2vxaL-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_G_RBFG200_1
(DODECIN)		 3muo PROLYL ENDOPEPTIDASE
(Aeromonas
caviae) 		4 / 8 HIS A 645
GLN A 647
TYR A 679
GLN A  58
 None
None
SUC  A 703 (-3.9A)
None
 1.21A 2vxaF-3muoA:
undetectable
2vxaG-3muoA:
undetectable
2vxaI-3muoA:
undetectable		 2vxaF-3muoA:
7.15
2vxaG-3muoA:
7.15
2vxaI-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_I_RBFI200_1
(DODECIN)		 3muo PROLYL ENDOPEPTIDASE
(Aeromonas
caviae) 		4 / 8 GLN A  58
TYR A 679
HIS A 645
GLN A 647
 None
SUC  A 703 (-3.9A)
None
None
 1.18A 2vxaH-3muoA:
undetectable
2vxaI-3muoA:
undetectable
2vxaJ-3muoA:
undetectable		 2vxaH-3muoA:
7.15
2vxaI-3muoA:
7.15
2vxaJ-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_J_RBFJ200_1
(DODECIN)		 3muo PROLYL ENDOPEPTIDASE
(Aeromonas
caviae) 		4 / 8 HIS A 645
GLN A 647
TYR A 679
GLN A  58
 None
None
SUC  A 703 (-3.9A)
None
 1.19A 2vxaD-3muoA:
undetectable
2vxaJ-3muoA:
undetectable
2vxaL-3muoA:
undetectable		 2vxaD-3muoA:
7.15
2vxaJ-3muoA:
7.15
2vxaL-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_L_RBFL200_1
(DODECIN)		 3muo PROLYL ENDOPEPTIDASE
(Aeromonas
caviae) 		4 / 8 HIS A 645
GLN A 647
GLN A  58
TYR A 679
 None
None
None
SUC  A 703 (-3.9A)
 1.19A 2vxaA-3muoA:
undetectable
2vxaK-3muoA:
undetectable
2vxaL-3muoA:
undetectable		 2vxaA-3muoA:
7.15
2vxaK-3muoA:
7.15
2vxaL-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		3 / 3 HIS A 456
HIS A 458
HIS A 401
 CU  A 701 (-3.3A)
CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
 0.68A 2w0qA-3abgA:
undetectable		 2w0qA-3abgA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.67A 2w0qB-1hfuA:
undetectable		 2w0qB-1hfuA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		8 / 12 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 215
GLY A 223
TYR A 225
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-4.3A)
ARG  A 703 (-2.6A)
None
 0.38A 2w26A-1pq5A:
15.3		 2w26A-1pq5A:
34.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 ILE A 311
LEU A 241
THR A 357
ILE A 361
LEU A 367
 None
SAH  A 703 (-4.0A)
SAH  A 703 (-3.2A)
None
None
 1.09A 2w3bA-5wp4A:
undetectable		 2w3bA-5wp4A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 7 ILE A 335
VAL A 411
GLY A 412
THR A 441
 None
ATP  A 703 (-4.8A)
ATP  A 703 ( 3.4A)
ATP  A 703 ( 3.7A)
 0.54A 2wd9A-5k8fA:
39.5		 2wd9A-5k8fA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 8 ILE A 335
VAL A 411
GLY A 412
THR A 441
 None
ATP  A 703 (-4.8A)
ATP  A 703 ( 3.4A)
ATP  A 703 ( 3.7A)
 0.55A 2wd9B-5k8fA:
35.8		 2wd9B-5k8fA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		5 / 10 THR A 289
ILE A 335
VAL A 411
GLY A 412
THR A 441
 ATP  A 703 (-3.8A)
None
ATP  A 703 (-4.8A)
ATP  A 703 ( 3.4A)
ATP  A 703 ( 3.7A)
 0.73A 2wd9C-5k8fA:
38.8		 2wd9C-5k8fA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		5 / 10 TRP A 334
ILE A 335
VAL A 411
GLY A 412
THR A 441
 6R9  A 704 ( 4.2A)
None
ATP  A 703 (-4.8A)
ATP  A 703 ( 3.4A)
ATP  A 703 ( 3.7A)
 0.58A 2wd9C-5k8fA:
38.8		 2wd9C-5k8fA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A 111
HIS A 109
HIS A 401
 CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.2A)
CU  A 702 (-3.2A)
 0.97A 2wkoA-1hfuA:
undetectable		 2wkoA-1hfuA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A 136
HIS A 134
HIS A 403
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 702 (-3.1A)
CU  A 701 ( 3.1A)
 0.95A 2wkoA-3abgA:
undetectable		 2wkoA-3abgA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 456
HIS A 403
HIS A 458
 CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
CU  A 702 (-3.5A)
 1.12A 2wkoA-3abgA:
undetectable		 2wkoA-3abgA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A 134
HIS A 132
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.3A)
C2O  A 702 ( 3.3A)
 1.07A 2wkoA-3aw5A:
undetectable		 2wkoA-3aw5A:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 5 HIS A  64
HIS A 111
HIS A 109
HIS A 401
 CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.2A)
CU  A 702 (-3.2A)
 1.04A 2wkoF-1hfuA:
undetectable		 2wkoF-1hfuA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A  94
HIS A 136
HIS A 134
HIS A 403
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 702 (-3.1A)
CU  A 701 ( 3.1A)
 1.01A 2wkoF-3abgA:
undetectable		 2wkoF-3abgA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 8 TYR A 235
TYR A 184
THR A 276
LEU A 279
 GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.4A)
None
None
 1.01A 2wx2B-5axhA:
undetectable		 2wx2B-5axhA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X08_A_ASCA1253_0
(CYTOCHROME C
PEROXIDASE,
MITOCHONDRIAL)		 5opq 3,6-ANHYDRO-D-GALACT
OSIDASE
(Zobellia
galactanivorans) 		5 / 9 ASP A 486
ILE A 487
TYR A 425
PRO A 427
VAL A 389
 TRS  A 703 (-3.1A)
TRS  A 703 (-4.7A)
None
None
None
 1.21A 2x08A-5opqA:
undetectable		 2x08A-5opqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 6 SER A 339
VAL A 411
TYR A 380
TRP A 334
 None
ATP  A 703 (-4.8A)
None
6R9  A 704 ( 4.2A)
 1.16A 2x45A-5k8fA:
undetectable		 2x45A-5k8fA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1160_1
(ALLERGEN ARG R 1)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 7 SER A 339
VAL A 411
TYR A 380
TRP A 334
 None
ATP  A 703 (-4.8A)
None
6R9  A 704 ( 4.2A)
 1.16A 2x45C-5k8fA:
undetectable		 2x45C-5k8fA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFS_B_J01B600_1
(ORF12)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 11 ALA A 209
TYR A  93
ALA A  54
GLY A 196
SER A 195
 None
None
None
None
ARG  A 703 (-2.3A)
 1.02A 2xfsB-1pq5A:
undetectable		 2xfsB-1pq5A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		3 / 3 ASP A 404
HIS A 451
HIS A 362
 ZN  A 703 (-2.7A)
D5M  A 701 (-4.1A)
FE  A 702 ( 3.4A)
 0.67A 2xxgA-5iheA:
undetectable		 2xxgA-5iheA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		3 / 3 ASP A 404
HIS A 451
HIS A 362
 ZN  A 703 (-2.7A)
D5M  A 701 (-4.1A)
FE  A 702 ( 3.4A)
 0.69A 2xxgC-5iheA:
undetectable		 2xxgC-5iheA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLD_A_ASCA130_0
(CYTOCHROME C')		 4lxf TREHALOSE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 ALA A 497
GLY A 408
LYS A  45
HIS A  46
 None
None
GOL  A 703 (-3.7A)
GOL  A 703 (-4.5A)
 1.27A 2yldA-4lxfA:
undetectable		 2yldA-4lxfA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 6au1 PUTATIVE HEMIN
STORAGE PROTEIN
(Bordetella
bronchiseptica) 		4 / 5 LEU A 630
ARG A 595
TRP A 593
TYR A 645
 None
SO4  A 703 (-3.9A)
None
None
 1.22A 2zlcA-6au1A:
undetectable		 2zlcA-6au1A:
13.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		 4fim LACTOTRANSFERRIN
(Bos
taurus) 		3 / 3 PRO A 593
GLU A 659
TYR A 660
 CEL  A 711 (-4.3A)
ZN  A 703 ( 1.9A)
CEL  A 711 (-4.4A)
 0.09A 2zmbA-4fimA:
57.6		 2zmbA-4fimA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 3lg5 EPI-ISOZIZAENE
SYNTHASE
(Streptomyces
coelicolor) 		4 / 7 GLU A 175
ARG A 194
GLU A 253
TYR A 172
 MG  A 700 ( 3.9A)
POP  A 703 (-2.8A)
MG  A 700 ( 4.9A)
None
 0.97A 2zt7A-3lg5A:
undetectable		 2zt7A-3lg5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		4 / 6 GLN A 378
PHE A 387
LEU A 366
PHE A 649
 None
PGE  A 703 (-4.4A)
EE4  A 701 ( 4.6A)
None
 0.90A 2zxwP-6c0tA:
1.7
2zxwW-6c0tA:
undetectable		 2zxwP-6c0tA:
undetectable
2zxwW-6c0tA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		4 / 6 GLN A 378
PHE A 387
LEU A 366
PHE A 649
 None
PGE  A 703 (-4.4A)
EE4  A 701 ( 4.6A)
None
 0.94A 3ablP-6c0tA:
1.9
3ablW-6c0tA:
undetectable		 3ablP-6c0tA:
undetectable
3ablW-6c0tA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5yq7 PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
(Roseiflexus
castenholzii) 		4 / 7 ILE M 505
LEU M 489
PHE M 486
LEU M 479
 BPH  M 703 (-4.1A)
None
None
BCL  M 702 (-4.6A)
 0.87A 3adxA-5yq7M:
undetectable		 3adxA-5yq7M:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.76A 3aicA-4hozA:
4.5		 3aicA-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.92A 3aicA-4hozA:
4.5		 3aicA-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.78A 3aicB-4hozA:
3.9		 3aicB-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		6 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
TYR A 105
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
GLC  A 703 (-3.5A)
 0.73A 3aicC-4hozA:
3.4		 3aicC-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		6 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
TYR A 105
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.5A)
GLC  A 703 (-3.8A)
 0.99A 3aicC-4hozA:
3.4		 3aicC-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.84A 3aicD-4hozA:
4.2		 3aicD-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.84A 3aicE-4hozA:
7.6		 3aicE-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.81A 3aicF-4hozA:
7.6		 3aicF-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.89A 3aicF-4hozA:
7.6		 3aicF-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.78A 3aicG-4hozA:
7.3		 3aicG-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.81A 3aicH-4hozA:
4.2		 3aicH-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.96A 3aicH-4hozA:
4.2		 3aicH-4hozA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		4 / 7 GLY A 366
ASP A 393
TYR A 420
ARG A 448
 None
GOL  A 703 (-3.0A)
None
GOL  A 703 (-4.0A)
 0.81A 3aruA-5zl9A:
55.5		 3aruA-5zl9A:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		4 / 7 PHE A 316
GLY A 366
ASP A 393
ARG A 448
 None
None
GOL  A 703 (-3.0A)
GOL  A 703 (-4.0A)
 0.63A 3aruA-5zl9A:
55.5		 3aruA-5zl9A:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 SER A 391
ILE A 393
LEU A 385
GLY A 382
GLY A 381
 SO4  A 709 (-3.9A)
None
None
None
ZN  A 703 ( 4.8A)
 0.89A 3axzA-5cbmA:
3.3		 3axzA-5cbmA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 LEU A 472
ALA A 433
ALA A 666
VAL A 667
HIS A 594
 None
None
None
None
FE  A 703 ( 3.4A)
 1.28A 3b0wA-1h76A:
0.0		 3b0wA-1h76A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BU1_A_HSMA301_1
(LIPOCALIN)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 7 SER A 339
VAL A 411
TYR A 380
TRP A 334
 None
ATP  A 703 (-4.8A)
None
6R9  A 704 ( 4.2A)
 1.17A 3bu1A-5k8fA:
undetectable		 3bu1A-5k8fA:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 6fmq -
(-) 		5 / 12 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.29A 3bwmA-6fmqA:
undetectable		 3bwmA-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 6fmq -
(-) 		5 / 12 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.28A 3bwyA-6fmqA:
undetectable		 3bwyA-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 8 HIS A 368
ASN A 370
ILE A 324
PHE A 319
 GLC  A 703 (-4.0A)
None
None
None
 1.48A 3ccfB-4hozA:
undetectable		 3ccfB-4hozA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		4 / 6 ASP A 459
ILE A 547
ARG A 463
SER A 554
 ZN  A 703 ( 2.9A)
SO4  A 712 (-3.4A)
SO4  A 712 ( 2.7A)
SO4  A 712 (-4.2A)
 1.20A 3ckzA-5cbmA:
undetectable		 3ckzA-5cbmA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]
(Mycobacterium
tuberculosis) 		3 / 3 PHE A  45
CYH A  49
PHE A  58
 PEG  A 703 ( 3.6A)
None
None
 0.85A 3cr5X-5i67A:
undetectable		 3cr5X-5i67A:
9.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A
(Brevibacillus
parabrevis) 		4 / 8 SER A  50
ILE A  56
LEU A  57
ASN A  71
 FMT  A 703 ( 3.6A)
None
FMT  A 703 ( 4.5A)
FMT  A 702 (-3.0A)
 0.77A 3dcjB-5es6A:
12.7		 3dcjB-5es6A:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_A_SAMA220_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 VAL A 289
GLY A 290
GLY A 292
PHE A 262
THR A 357
 None
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-3.2A)
 0.90A 3dh0A-5wp4A:
18.5		 3dh0A-5wp4A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4gvo LMO2349 PROTEIN
(Listeria
monocytogenes) 		5 / 12 PHE A  45
GLY A  42
VAL A  62
THR A  43
LEU A  51
 HIS  A 703 ( 4.0A)
None
None
None
None
 1.12A 3dh0B-4gvoA:
undetectable		 3dh0B-4gvoA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		 4gvo LMO2349 PROTEIN
(Listeria
monocytogenes) 		5 / 12 MET A 103
PHE A  45
VAL A  48
ILE A 195
THR A 182
 CSX  A 704 ( 4.4A)
HIS  A 703 ( 4.0A)
None
None
None
 1.25A 3dl9A-4gvoA:
undetectable		 3dl9A-4gvoA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 290
GLY A 292
SER A 314
ASP A 338
ARG A 355
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
None
 0.98A 3dlcA-5wp4A:
16.9		 3dlcA-5wp4A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 1dbi AK.1 SERINE PROTEASE
(Bacillus
sp.
Ak1) 		3 / 3 ASP A  65
ASP A  61
ASP A  43
 CA  A 703 (-4.6A)
None
None
 0.74A 3douA-1dbiA:
undetectable		 3douA-1dbiA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.28A 3dqtA-1ovlB:
undetectable
3dqtB-1ovlB:
undetectable		 3dqtA-1ovlB:
20.76
3dqtB-1ovlB:
20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9X_A_NIMA1_1
(LACTOTRANSFERRIN')		 4fim LACTOTRANSFERRIN
(Bos
taurus) 		4 / 4 GLU A 659
GLY A 662
THR A 663
GLU A 664
 ZN  A 703 ( 1.9A)
CEL  A 711 (-3.3A)
None
NAG  A 708 (-4.8A)
 0.82A 3e9xA-4fimA:
58.4		 3e9xA-4fimA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		5 / 12 GLY A 412
ASP A 436
ILE A 335
GLY A 444
THR A 310
 ATP  A 703 ( 3.4A)
6R9  A 704 ( 3.5A)
None
None
None
 1.18A 3eeyF-5k8fA:
undetectable		 3eeyF-5k8fA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		3 / 3 TYR A 663
TYR A 431
GLY A 397
 None
FE  A 703 ( 4.2A)
None
 0.69A 3eteB-1h76A:
2.0
3eteD-1h76A:
undetectable
3eteF-1h76A:
undetectable		 3eteB-1h76A:
21.46
3eteD-1h76A:
21.46
3eteF-1h76A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		3 / 3 TYR A 652
TYR A 425
GLY A 393
 None
FE  A 703 ( 4.1A)
None
 0.72A 3eteB-1jnfA:
undetectable
3eteD-1jnfA:
undetectable
3eteF-1jnfA:
undetectable		 3eteB-1jnfA:
21.51
3eteD-1jnfA:
21.51
3eteF-1jnfA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		3 / 3 TYR A 652
TYR A 425
GLY A 394
 None
FE  A 703 ( 4.1A)
None
 0.67A 3eteB-1jnfA:
undetectable
3eteD-1jnfA:
undetectable
3eteF-1jnfA:
undetectable		 3eteB-1jnfA:
21.51
3eteD-1jnfA:
21.51
3eteF-1jnfA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		3 / 3 TYR E 652
TYR E 425
GLY E 393
 None
FE  E 703 ( 4.1A)
None
 0.72A 3eteB-1suvE:
undetectable
3eteD-1suvE:
undetectable
3eteF-1suvE:
undetectable		 3eteB-1suvE:
22.16
3eteD-1suvE:
22.16
3eteF-1suvE:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		3 / 3 TYR E 652
TYR E 425
GLY E 394
 None
FE  E 703 ( 4.1A)
None
 0.67A 3eteB-1suvE:
undetectable
3eteD-1suvE:
undetectable
3eteF-1suvE:
undetectable		 3eteB-1suvE:
22.16
3eteD-1suvE:
22.16
3eteF-1suvE:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FBX_A_ACTA608_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2)		 3f7q INTEGRIN BETA-4
(Homo
sapiens) 		3 / 3 GLU A1254
VAL A1273
CYH A1256
 1PE  A 703 (-3.1A)
None
None
 0.99A 3fbxA-3f7qA:
undetectable		 3fbxA-3f7qA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))		 3sbq NITROUS-OXIDE
REDUCTASE
(Pseudomonas
stutzeri) 		4 / 5 ASN A 324
ASN A 241
HIS A 382
ALA A 340
 CA  A 703 (-3.0A)
CL  A 704 (-3.7A)
CUK  A 702 ( 3.3A)
None
 1.49A 3frqA-3sbqA:
undetectable		 3frqA-3sbqA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 VAL A 289
GLY A 290
GLY A 292
ASP A 338
ILE A 361
 None
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-3.3A)
None
 0.69A 3fuuA-5wp4A:
10.4		 3fuuA-5wp4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)
(Aspergillus
niger) 		3 / 3 ASP A 191
LEU A 432
GLN A 304
 None
NAG  A 596 (-4.7A)
GOL  A 703 (-4.0A)
 0.62A 3g4lA-1qfxA:
undetectable		 3g4lA-1qfxA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G6M_A_CFFA1_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		10 / 11 TYR A 163
PHE A 191
GLY A 274
TRP A 275
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.3A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 706 ( 3.8A)
 0.64A 3g6mA-5zl9A:
43.7		 3g6mA-5zl9A:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAN_A_SVRA158_1
(UNCHARACTERIZED
PROTEIN AT3G22680)		 5opq 3,6-ANHYDRO-D-GALACT
OSIDASE
(Zobellia
galactanivorans) 		5 / 11 TYR A 422
VAL A 389
PRO A 390
ILE A 565
ILE A 484
 None
None
None
TRS  A 703 (-4.9A)
None
 1.50A 3ganA-5opqA:
undetectable		 3ganA-5opqA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 THR A 465
ASP A 399
LYS A 386
ASP A 459
LEU A 487
 None
ZN  A 702 ( 2.3A)
4ZN  A 704 ( 2.5A)
ZN  A 703 ( 2.9A)
CO3  A 701 ( 4.5A)
 1.33A 3glqB-5cbmA:
undetectable		 3glqB-5cbmA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL
(Rattus
norvegicus) 		5 / 12 ALA A 367
MET A 342
LEU A 599
ILE A 443
HIS A 337
 None
None
D12  A1703 (-4.2A)
None
None
 1.06A 3gwsX-2h4tA:
undetectable		 3gwsX-2h4tA:
18.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		8 / 11 HIS A  56
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-3.1A)
ARG  A 703 (-2.3A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.36A 3gy3A-1pq5A:
34.3		 3gy3A-1pq5A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HEG_A_BAXA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		4 / 6 VAL A 102
ILE A  92
ILE A  61
LEU A  62
 None
None
None
K  A 703 ( 4.9A)
 0.76A 3hegA-3bolA:
undetectable		 3hegA-3bolA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.70A 3hiiA-1hfuA:
undetectable		 3hiiA-1hfuA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 5uqd DUMPY: SHORTER THAN
WILD-TYPE
(Caenorhabditis
elegans) 		5 / 12 TRP A1606
GLY A1406
SER A1357
VAL A1359
ASN A1378
 None
PG0  A1703 ( 4.5A)
None
None
None
 1.48A 3hiiA-5uqdA:
undetectable		 3hiiA-5uqdA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A 399
HIS A 451
HIS A 453
 CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
 0.71A 3hiiB-1hfuA:
undetectable		 3hiiB-1hfuA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 5uqd DUMPY: SHORTER THAN
WILD-TYPE
(Caenorhabditis
elegans) 		5 / 12 TRP A1606
GLY A1406
SER A1357
VAL A1359
ASN A1378
 None
PG0  A1703 ( 4.5A)
None
None
None
 1.47A 3hiiB-5uqdA:
undetectable		 3hiiB-5uqdA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HZN_D_ACTD229_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 5cxw PENICILLIN-BINDING
PROTEIN 1A
(Mycobacterium
tuberculosis) 		4 / 4 ASP A 553
GLY A 570
LYS A 552
GLU A 576
 None
None
PEG  A 703 (-3.0A)
None
 1.36A 3hznD-5cxwA:
undetectable		 3hznD-5cxwA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		3 / 3 ASP A 379
PHE A 398
SER A 391
 ZN  A 703 (-2.3A)
4ZN  A 704 (-4.9A)
SO4  A 709 (-3.9A)
 0.97A 3i5uB-5cbmA:
undetectable		 3i5uB-5cbmA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		 4fim LACTOTRANSFERRIN
(Bos
taurus) 		3 / 3 GLU A 659
GLY A 662
THR A 663
 ZN  A 703 ( 1.9A)
CEL  A 711 (-3.3A)
None
 0.22A 3iazA-4fimA:
58.5		 3iazA-4fimA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		4 / 4 GLY A 213
VAL A 224
GLY A 170
THR A 171
 ARG  A 703 ( 3.7A)
None
None
None
 0.81A 3ib2A-1pq5A:
undetectable		 3ib2A-1pq5A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A  82
GLU A  78
GLU A 143
ILE A  21
 ACT  A 703 (-4.8A)
None
None
None
 0.89A 3jz0B-4qjyA:
3.6		 3jz0B-4qjyA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.59A 3k2hA-5t0lA:
45.9		 3k2hA-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.88A 3k2hA-5t0lA:
45.9		 3k2hA-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.62A 3k2hB-5t0lA:
45.8		 3k2hB-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.90A 3k2hB-5t0lA:
45.8		 3k2hB-5t0lA:
42.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_A_BCZA468_1
(NEURAMINIDASE)		 5mg8 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
5
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
6
(Schizosaccharomy
ces
pombe;
Schizosaccharomy
ces
pombe) 		3 / 3 ASP A 438
ARG A 486
ARG B 678
 GOL  A 703 (-3.5A)
None
None
 0.98A 3k37A-5mg8A:
undetectable		 3k37A-5mg8A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 5dfa BETA-GALACTOSIDASE
(Geobacillus
stearothermophil
us) 		4 / 6 ARG A 107
ARG A 120
GLY A 119
GLU A 371
 None
GOL  A 703 (-3.0A)
None
GOL  A 703 (-3.1A)
 1.11A 3k9fA-5dfaA:
undetectable
3k9fB-5dfaA:
undetectable
3k9fD-5dfaA:
undetectable		 3k9fA-5dfaA:
22.02
3k9fB-5dfaA:
22.02
3k9fD-5dfaA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 3ce2 PUTATIVE PEPTIDASE
(Chlamydia
abortus) 		3 / 3 HIS A 400
GLU A 401
HIS A 404
 ZN  A 703 (-3.3A)
ZN  A 703 ( 4.7A)
ZN  A 703 (-3.4A)
 0.12A 3kecB-3ce2A:
undetectable		 3kecB-3ce2A:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 8 TYR A 235
TYR A 184
THR A 276
LEU A 279
 GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.4A)
None
None
 0.98A 3khmA-5axhA:
undetectable		 3khmA-5axhA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 4pf1 PEPTIDASE
S15/COCE/NOND
(Thaumarchaeota
archaeon
SCGC
AB-539-E09) 		4 / 4 GLY A 298
TYR A 297
GLY A 190
ASP A 186
 None
None
None
GOL  A 703 (-4.9A)
 0.96A 3kl3A-4pf1A:
undetectable		 3kl3A-4pf1A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		4 / 7 PHE A 103
GLY A 271
PHE A 228
PHE A 169
 None
K  A 703 (-4.8A)
None
None
 1.04A 3ko0R-3bolA:
undetectable
3ko0T-3bolA:
undetectable		 3ko0R-3bolA:
11.31
3ko0T-3bolA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens) 		4 / 5 ASN A 290
ALA A 293
ALA A 292
ARG A 295
 None
None
None
CIT  A 703 (-3.1A)
 1.16A 3kp2B-6fcxA:
undetectable		 3kp2B-6fcxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4wd1 ACETOACETATE-COA
LIGASE
(Streptomyces
lividans) 		5 / 8 THR A 436
LEU A 437
GLN A 445
ALA A 433
HIS A 300
 EDO  A 703 ( 2.9A)
EDO  A 705 (-4.1A)
None
None
None
 1.26A 3kp6A-4wd1A:
undetectable		 3kp6A-4wd1A:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L2V_A_RLTA397_1
(INTEGRASE)		 3k7n K-LIKE
(Naja
atra) 		4 / 7 ASP A 472
ASP A 457
PRO A 459
GLU A 460
 CA  A 703 (-3.2A)
CA  A 703 (-3.2A)
None
CA  A 703 (-2.5A)
 1.24A 3l2vA-3k7nA:
undetectable		 3l2vA-3k7nA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L35_H_DHIH3_0
(GP41 N-PEPTIDE
HIV ENTRY INHIBITOR
PIE12)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		3 / 3 LEU A 256
TRP A 259
GLY A 230
 None
None
CA  A 703 ( 4.4A)
 0.58A 3l35A-1nugA:
undetectable
3l35H-1nugA:
undetectable		 3l35A-1nugA:
4.95
3l35H-1nugA:
2.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L35_K_DHIK3_0
(GP41 N-PEPTIDE
HIV ENTRY INHIBITOR
PIE12)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		3 / 3 LEU A 256
TRP A 259
GLY A 230
 None
None
CA  A 703 ( 4.4A)
 0.51A 3l35B-1nugA:
undetectable
3l35K-1nugA:
undetectable		 3l35B-1nugA:
4.95
3l35K-1nugA:
2.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2
(Homo
sapiens) 		5 / 12 ASN B  39
ASP B  42
ASP B  68
MET B  73
THR B 197
 MG  B 703 ( 2.7A)
None
ATP  B 702 (-3.4A)
ATP  B 702 (-3.6A)
ATP  B 702 (-3.7A)
 0.92A 3lpsA-5ofbB:
10.8		 3lpsA-5ofbB:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		5 / 11 ARG A 244
ASN A 224
VAL A 231
ILE A 223
GLY A 277
 None
CA  A 703 (-3.0A)
None
None
None
 1.03A 3lzvB-1nugA:
undetectable		 3lzvB-1nugA:
9.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 12 PRO A 211
GLY A 210
GLY A 236
VAL A 230
LEU A  62
 None
None
None
None
K  A 703 ( 4.9A)
 1.05A 3m6vA-3bolA:
undetectable		 3m6vA-3bolA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 12 PRO A 211
GLY A 210
GLY A 236
VAL A 230
LEU A  62
 None
None
None
None
K  A 703 ( 4.9A)
 1.04A 3m6vB-3bolA:
undetectable		 3m6vB-3bolA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		6 / 12 PRO A 211
GLY A 210
GLY A 236
VAL A 230
VAL A  60
LEU A  62
 None
None
None
None
None
K  A 703 ( 4.9A)
 1.37A 3m6wA-3bolA:
undetectable		 3m6wA-3bolA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		6 / 12 ALA A 457
THR A 456
ALA A 455
VAL A  27
ALA A  89
ALA A 461
 None
HEZ  A 703 (-4.4A)
HEZ  A 703 (-3.7A)
None
None
None
 1.33A 3mg0Y-5ya1A:
undetectable
3mg0Z-5ya1A:
undetectable		 3mg0Y-5ya1A:
16.67
3mg0Z-5ya1A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIH_A_CUA357_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		3 / 3 HIS A  66
HIS A 109
HIS A  64
 CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 0.81A 3mihA-1hfuA:
0.3		 3mihA-1hfuA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIH_A_CUA357_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		3 / 3 HIS A 459
HIS A 394
HIS A 396
 C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.77A 3mihA-3aw5A:
undetectable		 3mihA-3aw5A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.23A 3n61A-1ovlB:
0.6
3n61B-1ovlB:
0.3		 3n61A-1ovlB:
22.20
3n61B-1ovlB:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.42A 3nrrA-5t0lA:
undetectable		 3nrrA-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.77A 3nrrA-5t0lA:
undetectable		 3nrrA-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.42A 3nrrB-5t0lA:
undetectable		 3nrrB-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.79A 3nrrB-5t0lA:
undetectable		 3nrrB-5t0lA:
42.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		4 / 6 PHE A 213
THR A 258
ALA A 216
ALA A 215
 BU3  A 703 ( 3.9A)
BU3  A 703 (-3.7A)
None
BU3  A 703 ( 3.8A)
 0.99A 3ns1C-4dg8A:
undetectable		 3ns1C-4dg8A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens) 		4 / 7 PHE A  64
ARG A 295
ILE A 299
LEU A 333
 None
CIT  A 703 (-3.1A)
None
None
 1.17A 3nxuA-6fcxA:
undetectable		 3nxuA-6fcxA:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 5y9w POLLEN RECEPTOR-LIKE
KINASE 6
(Arabidopsis
thaliana) 		5 / 9 LEU B  48
PHE B  63
ARG B 102
LEU B 126
GLY B  64
 None
None
SO4  B 703 (-3.2A)
None
None
 1.20A 3nxuB-5y9wB:
undetectable		 3nxuB-5y9wB:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		 2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 10 ASN A  38
ALA A  43
ASN A  14
LEU A  15
VAL A   8
 None
None
MG  A 703 (-4.0A)
None
None
 1.21A 3o02A-2ywrA:
undetectable
3o02B-2ywrA:
undetectable		 3o02A-2ywrA:
21.14
3o02B-2ywrA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O1C_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 4zrx F5/8 TYPE C DOMAIN
PROTEIN
(Bacteroides
ovatus) 		5 / 10 PHE A  66
ASP A 204
ILE A 238
HIS A  68
HIS A 117
 None
EDO  A 701 ( 3.5A)
EDO  A 701 (-4.5A)
EDO  A 703 (-3.9A)
EDO  A 703 (-4.1A)
 1.09A 3o1cA-4zrxA:
undetectable		 3o1cA-4zrxA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 4zrx F5/8 TYPE C DOMAIN
PROTEIN
(Bacteroides
ovatus) 		5 / 10 PHE A  66
ASP A 204
ILE A 238
HIS A  68
HIS A 117
 None
EDO  A 701 ( 3.5A)
EDO  A 701 (-4.5A)
EDO  A 703 (-3.9A)
EDO  A 703 (-4.1A)
 1.09A 3o1xA-4zrxA:
undetectable		 3o1xA-4zrxA:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		 4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE
(Bos
taurus) 		10 / 12 LEU A 408
VAL A 416
ALA A 428
LYS A 430
VAL A 458
THR A 474
TYR A 476
GLY A 480
GLU A 488
LEU A 528
 746  A 702 (-3.8A)
746  A 702 ( 4.3A)
746  A 702 (-2.4A)
746  A 702 (-3.7A)
None
746  A 702 (-3.7A)
746  A 702 (-4.4A)
746  A 702 (-3.6A)
CA  A 703 ( 4.5A)
746  A 702 (-4.4A)
 0.97A 3octA-4y93A:
33.6		 3octA-4y93A:
57.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		3 / 3 TYR A 246
ASP A 312
ASP A 338
 SAH  A 703 ( 4.0A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
 0.78A 3ou7B-5wp4A:
19.7		 3ou7B-5wp4A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		3 / 3 GLY A 292
ASP A 312
ASP A 338
 SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
 0.39A 3ou7C-5wp4A:
19.3		 3ou7C-5wp4A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		7 / 12 TYR A 246
GLY A 292
LEU A 313
SER A 314
MET A 317
ASP A 338
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
SAH  A 703 (-4.0A)
 0.57A 3pfgA-5wp4A:
16.1		 3pfgA-5wp4A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 292
SER A 314
MET A 317
PHE A 258
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
None
 1.33A 3pfgA-5wp4A:
16.1		 3pfgA-5wp4A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		6 / 12 ASP A  19
GLY A 142
LEU A  18
PHE A 145
ILE A 106
THR A  63
 K  A 703 (-3.7A)
None
None
None
None
None
 1.27A 3pwwA-3bolA:
undetectable		 3pwwA-3bolA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 4zrx F5/8 TYPE C DOMAIN
PROTEIN
(Bacteroides
ovatus) 		5 / 10 PHE A  66
ASP A 204
ILE A 238
HIS A  68
HIS A 117
 None
EDO  A 701 ( 3.5A)
EDO  A 701 (-4.5A)
EDO  A 703 (-3.9A)
EDO  A 703 (-4.1A)
 1.08A 3qgzA-4zrxA:
undetectable		 3qgzA-4zrxA:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_A_CUA603_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.18A 3qpkA-1hfuA:
41.2		 3qpkA-1hfuA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_A_CUA604_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.80A 3qpkA-1hfuA:
41.3		 3qpkA-1hfuA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_A_CUA604_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.05A 3qpkA-1hfuA:
41.3		 3qpkA-1hfuA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_A_CUA604_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.19A 3qpkA-1hfuA:
41.3		 3qpkA-1hfuA:
31.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA604_0
(LACCASE-1)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.43A 3qpkA-3abgA:
26.6		 3qpkA-3abgA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA604_0
(LACCASE-1)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.97A 3qpkA-3abgA:
26.6		 3qpkA-3abgA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA604_0
(LACCASE-1)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.16A 3qpkA-3aw5A:
27.6		 3qpkA-3aw5A:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA604_0
(LACCASE-1)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.85A 3qpkA-3aw5A:
27.6		 3qpkA-3aw5A:
26.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_B_CUB603_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.20A 3qpkB-1hfuA:
41.3		 3qpkB-1hfuA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_B_CUB604_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.81A 3qpkB-1hfuA:
41.3		 3qpkB-1hfuA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QPK_B_CUB604_0
(LACCASE-1)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.16A 3qpkB-1hfuA:
41.3		 3qpkB-1hfuA:
31.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB604_0
(LACCASE-1)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.38A 3qpkB-3abgA:
26.7		 3qpkB-3abgA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB604_0
(LACCASE-1)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.29A 3qpkB-3abgA:
26.7		 3qpkB-3abgA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB604_0
(LACCASE-1)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.95A 3qpkB-3abgA:
26.7		 3qpkB-3abgA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB604_0
(LACCASE-1)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.16A 3qpkB-3aw5A:
27.7		 3qpkB-3aw5A:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB604_0
(LACCASE-1)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.83A 3qpkB-3aw5A:
27.7		 3qpkB-3aw5A:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		4 / 5 GLY A 399
ASP A 396
ARG A 397
GLN A 461
 None
None
None
MLI  A 703 ( 2.7A)
 1.25A 3qx3B-6b3bA:
undetectable		 3qx3B-6b3bA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 290
GLY A 296
LEU A 313
ASP A 338
CYH A 339
 SAH  A 703 (-4.0A)
None
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.80A 3r24A-5wp4A:
8.9		 3r24A-5wp4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		4 / 6 LEU A 352
SER A 220
ALA A 221
ARG A 217
 None
None
CA  A 703 (-4.5A)
None
 1.03A 3ravA-1nugA:
undetectable		 3ravA-1nugA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		4 / 6 LEU A 352
SER A 220
ALA A 221
LEU A 283
 None
None
CA  A 703 (-4.5A)
None
 1.00A 3ravA-1nugA:
undetectable		 3ravA-1nugA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		4 / 6 LEU A 352
SER A 220
ALA A 221
ARG A 217
 None
None
CA  A 703 (-4.5A)
None
 1.05A 3rd0A-1nugA:
undetectable		 3rd0A-1nugA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 LEU A  44
ASP A  42
SER A  51
TYR A 371
 None
NAD  A 703 (-2.7A)
None
None
 1.08A 3rodA-1z45A:
5.8		 3rodA-1z45A:
18.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 6 SER A 190
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.38A 3rxfA-1pq5A:
17.6		 3rxfA-1pq5A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 (-2.6A)
 0.37A 3rxhA-1pq5A:
34.2		 3rxhA-1pq5A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP
(Aspergillus
fumigatus) 		4 / 8 ASP B  89
GLY A 441
PRO A 399
GLN A 402
 None
CA  A 703 ( 4.5A)
None
None
 1.03A 3s3nA-4k90B:
undetectable		 3s3nA-4k90B:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 351
ASP A 355
ARG A 493
ASP A 496
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 0.77A 3sdrA-1n21A:
37.7		 3sdrA-1n21A:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 355
ASP A 509
ARG A 493
ASP A 496
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 1.41A 3sdrA-1n21A:
37.7		 3sdrA-1n21A:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		 5uv2 (+)-LIMONENE
SYNTHASE
(Citrus
sinensis) 		4 / 4 ASP A 343
ASP A 347
ARG A 485
ASP A 488
 MN  A 702 (-2.7A)
MN  A 701 (-2.7A)
LA6  A 704 (-2.9A)
MN  A 703 ( 2.8A)
 0.62A 3sdrA-5uv2A:
38.8		 3sdrA-5uv2A:
29.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SDV_A_911A822_0
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 351
ASP A 355
ARG A 493
ASP A 496
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 0.81A 3sdvA-1n21A:
37.0		 3sdvA-1n21A:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SDV_A_911A822_0
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 355
ASP A 509
ARG A 493
ASP A 496
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 1.35A 3sdvA-1n21A:
37.0		 3sdvA-1n21A:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SDV_A_911A822_0
(ALPHA-BISABOLENE
SYNTHASE)		 5uv2 (+)-LIMONENE
SYNTHASE
(Citrus
sinensis) 		4 / 4 ASP A 343
ASP A 347
ARG A 485
ASP A 488
 MN  A 702 (-2.7A)
MN  A 701 (-2.7A)
LA6  A 704 (-2.9A)
MN  A 703 ( 2.8A)
 0.62A 3sdvA-5uv2A:
38.0		 3sdvA-5uv2A:
29.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SG8_A_TOYA305_1
(APH(2'')-ID)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ASN A 103
SER A 455
ASP A 369
TYR A  57
TRP A 479
 None
None
GLC  A 703 ( 2.8A)
None
None
 1.28A 3sg8A-4hozA:
2.8		 3sg8A-4hozA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_A_CYZA266_2
(GLUTAMATE RECEPTOR 2)		 5low RABPHILIN-3A
(Rattus
norvegicus) 		4 / 5 ILE A 634
SER A 637
LYS A 636
GLY A 635
 None
None
CA  A 703 ( 3.8A)
None
 1.02A 3tkdB-5lowA:
undetectable		 3tkdB-5lowA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_B_CYZB267_1
(GLUTAMATE RECEPTOR 2)		 5low RABPHILIN-3A
(Rattus
norvegicus) 		4 / 5 ILE A 634
SER A 637
LYS A 636
GLY A 635
 None
None
CA  A 703 ( 3.8A)
None
 1.02A 3tkdA-5lowA:
undetectable		 3tkdA-5lowA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_4
(PROTEASE)		 5cvw BIFUNCTIONAL
HEMOLYSIN/ADENYLATE
CYCLASE
(Bordetella
pertussis) 		4 / 4 ASP A1560
ASP A1579
GLY A1597
THR A1641
 None
CA  A1702 ( 2.4A)
CA  A1703 ( 4.5A)
None
 1.26A 3tl9B-5cvwA:
undetectable		 3tl9B-5cvwA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 ASN A 221
ALA A 222
PRO A 223
ALA A 227
 None
CE6  A 703 ( 4.1A)
None
None
 1.30A 3twpD-4jjjA:
undetectable		 3twpD-4jjjA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		 5cd6 TPR-DOMAIN
CONTAINING PROTEIN
(Parabacteroides
distasonis) 		4 / 8 GLY A 292
SER A 290
TYR A 291
GLU A 312
 None
None
None
GOL  A 703 (-2.8A)
 0.87A 3u9hA-5cd6A:
undetectable		 3u9hA-5cd6A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_B_NCAB1164_0
(TANKYRASE-2)		 5cd6 TPR-DOMAIN
CONTAINING PROTEIN
(Parabacteroides
distasonis) 		4 / 8 GLY A 292
SER A 290
TYR A 291
GLU A 312
 None
None
None
GOL  A 703 (-2.8A)
 0.85A 3u9hB-5cd6A:
undetectable		 3u9hB-5cd6A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 LEU A 241
TYR A 246
GLY A 290
ARG A 355
ASP A 356
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
None
PC  A 702 ( 4.6A)
SAH  A 703 (-4.0A)
 0.43A 3uj6A-5wp4A:
40.4		 3uj6A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 LEU A 241
TYR A 246
GLY A 290
ILE A 311
ARG A 355
ASP A 356
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
None
None
PC  A 702 ( 4.6A)
 1.08A 3uj6A-5wp4A:
40.4		 3uj6A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 LEU A 241
TYR A 246
GLY A 292
ILE A 251
ARG A 355
ASP A 356
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
None
None
PC  A 702 ( 4.6A)
 1.28A 3uj6A-5wp4A:
40.4		 3uj6A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 LEU A 241
TYR A 246
ILE A 251
ARG A 355
ASP A 356
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
None
None
PC  A 702 ( 4.6A)
SAH  A 703 (-4.0A)
 1.24A 3uj6A-5wp4A:
40.4		 3uj6A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 LEU A 241
TYR A 246
GLY A 290
ARG A 355
ASP A 356
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
None
PC  A 702 ( 4.6A)
SAH  A 703 (-4.0A)
 0.43A 3uj7A-5wp4A:
40.0		 3uj7A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 LEU A 241
TYR A 246
GLY A 290
ILE A 311
ARG A 355
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
None
None
 1.08A 3uj7A-5wp4A:
40.0		 3uj7A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 LEU A 241
TYR A 246
ILE A 251
ARG A 355
ASP A 356
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.0A)
None
None
PC  A 702 ( 4.6A)
 1.15A 3uj7A-5wp4A:
40.0		 3uj7A-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 LEU A 241
GLY A 290
GLY A 292
ARG A 355
ASP A 356
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
PC  A 702 ( 4.6A)
SAH  A 703 (-4.0A)
 0.36A 3uj7B-5wp4A:
40.5		 3uj7B-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		4 / 5 TYR A 246
SER A 264
ASP A 312
ASP A 338
 SAH  A 703 ( 4.0A)
SAH  A 703 (-2.6A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
 0.20A 3uj7B-5wp4A:
40.5		 3uj7B-5wp4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 LEU A 486
HIS A 490
LEU A 516
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.72A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 1.15A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 TRP A 403
LEU A 486
HIS A 490
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.69A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 8 TYR A 184
TYR A 235
HIS A 190
LEU A 270
 GLC  A 703 ( 4.4A)
GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.0A)
None
 1.37A 3uzzB-5axhA:
7.9		 3uzzB-5axhA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5icq METHYLOCYSTIS PARVUS
OBBP MBNE
(Methylocystis
parvus) 		4 / 7 ALA A 396
ILE A 398
ARG A 384
GLY A 401
 SO4  A 703 (-3.6A)
None
None
None
 0.99A 3v4tH-5icqA:
undetectable		 3v4tH-5icqA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 3wky PROPHENOLOXIDASE B
(Marsupenaeus
japonicus) 		4 / 7 GLY A 460
SER A 459
SER A 457
PHE A 567
 None
NAG  A 703 (-4.7A)
None
None
 0.86A 3v7pA-3wkyA:
undetectable		 3v7pA-3wkyA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W68_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4s2t PROTEIN APP-1
(Caenorhabditis
elegans) 		5 / 12 ILE P 269
TRP P 268
VAL P 184
LEU P 187
VAL P 311
 None
None
None
SO4  P 703 (-3.8A)
SO4  P 703 (-4.6A)
 1.01A 3w68C-4s2tP:
undetectable		 3w68C-4s2tP:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W68_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 ILE A 685
VAL A  89
ILE A 608
LEU A 425
VAL A  86
 None
None
ZPE  A 703 ( 4.9A)
None
None
 0.99A 3w68C-5lc8A:
undetectable		 3w68C-5lc8A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 2gu2 ASPA PROTEIN
(Rattus
norvegicus) 		4 / 6 CYH A  60
THR A  61
ASN A  22
GLY A 184
 None
SO4  A 703 (-3.8A)
None
None
 1.28A 3w9tE-2gu2A:
undetectable		 3w9tE-2gu2A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		11 / 11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
ARG A 448
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 703 (-4.0A)
GOL  A 706 ( 3.8A)
 0.53A 3wqvA-5zl9A:
42.6		 3wqvA-5zl9A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		11 / 11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
ARG A 448
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 703 (-4.0A)
GOL  A 706 ( 3.8A)
 0.55A 3wqwA-5zl9A:
42.7		 3wqwA-5zl9A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		 4lxf TREHALOSE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 ALA A 497
GLY A 408
LYS A  45
HIS A  46
 None
None
GOL  A 703 (-3.7A)
GOL  A 703 (-4.5A)
 1.30A 3zwiA-4lxfA:
undetectable		 3zwiA-4lxfA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 4lvo SUBTILISIN-LIKE
SERINE PROTEASE
(Plasmodium
falciparum) 		3 / 3 ASN A 404
ASP A 409
ASN A 389
 CA  A 703 (-2.8A)
CA  A 703 (-2.8A)
None
 0.80A 4agaA-4lvoA:
undetectable		 4agaA-4lvoA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 1ikp EXOTOXIN A
(Pseudomonas
aeruginosa) 		4 / 4 ASN A 112
SER A  65
LEU A  64
THR A 273
 None
NA  A 703 ( 4.5A)
None
None
 1.33A 4an2A-1ikpA:
0.4		 4an2A-1ikpA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		 3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE
(Oryza
sativa) 		3 / 3 ARG A 272
ASP A 446
GLN A 447
 None
None
EDO  A 703 (-4.7A)
 0.82A 4azsA-3umvA:
undetectable		 4azsA-3umvA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 5cd6 TPR-DOMAIN
CONTAINING PROTEIN
(Parabacteroides
distasonis) 		4 / 8 GLY A 292
SER A 290
TYR A 291
GLU A 312
 None
None
None
GOL  A 703 (-2.8A)
 0.88A 4bjcA-5cd6A:
undetectable		 4bjcA-5cd6A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 LEU A 241
ASP A 288
GLY A 292
GLY A 295
LEU A 313
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.6A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.1A)
 0.79A 4blvA-5wp4A:
10.1		 4blvA-5wp4A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3t6c PUTATIVE MAND FAMILY
DEHYDRATASE
(Pantoea
ananatis) 		5 / 12 ASP A 129
HIS A 127
TYR A 199
GLY A 160
LEU A 221
 None
None
None
EDO  A 703 (-4.2A)
None
 1.24A 4blvB-3t6cA:
undetectable		 4blvB-3t6cA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		5 / 11 ARG A 172
GLY A 472
VAL A 479
GLU A 542
VAL A 470
 None
None
None
GOL  A 703 (-4.4A)
None
 1.08A 4danA-5zl9A:
undetectable		 4danA-5zl9A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE
(Synechocystis
sp.
PCC
6803) 		3 / 3 TYR A 509
THR A 543
GLU A 513
 NA  A 703 ( 4.3A)
CYC  A 701 ( 4.0A)
None
 0.81A 4df3A-5m85A:
undetectable		 4df3A-5m85A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_B_SAMB301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE
(Synechocystis
sp.
PCC
6803) 		3 / 3 TYR A 509
THR A 543
GLU A 513
 NA  A 703 ( 4.3A)
CYC  A 701 ( 4.0A)
None
 0.77A 4df3B-5m85A:
undetectable		 4df3B-5m85A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 MET A 207
PHE A 211
ASP A 199
ASN A 193
GLY A 155
 None
None
CA  A 703 (-2.3A)
None
None
 1.40A 4djeB-4jclA:
5.9		 4djeB-4jclA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ARG A 316
TRP A 315
GLY A 304
 None
CE6  A 703 (-3.6A)
None
 1.00A 4e7cA-4jjjA:
undetectable		 4e7cA-4jjjA:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.37A 4eb4A-5t0lA:
44.6		 4eb4A-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.37A 4eb4B-5t0lA:
44.6		 4eb4B-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 9 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.47A 4eb4C-5t0lA:
41.5		 4eb4C-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.46A 4eb4D-5t0lA:
42.9		 4eb4D-5t0lA:
35.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  66
HIS A 109
HIS A 399
HIS A 453
 CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.77A 4ef3A-1hfuA:
31.7		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 451
HIS A  64
HIS A 111
 CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
 0.67A 4ef3A-1hfuA:
31.7		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A 399
HIS A 109
HIS A  66
 CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.2A)
CU  A 703 (-3.0A)
 1.12A 4ef3A-1hfuA:
31.7		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  96
HIS A 134
HIS A 401
HIS A 458
 CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
 0.32A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 403
HIS A 456
HIS A  94
HIS A 136
 CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
 0.81A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  94
HIS A 132
HIS A 394
HIS A 461
 C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
 0.22A 4ef3A-3aw5A:
45.2		 4ef3A-3aw5A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 396
HIS A 459
HIS A  92
HIS A 134
 C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.66A 4ef3A-3aw5A:
45.2		 4ef3A-3aw5A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 111
HIS A  64
HIS A 453
HIS A 109
HIS A  66
 CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-3.0A)
 1.39A 4ef3A-1hfuA:
31.8		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 399
HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.88A 4ef3A-1hfuA:
31.8		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.37A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 401
HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.65A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 458
HIS A 401
HIS A 136
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 1.28A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A  92
HIS A 134
HIS A 394
HIS A 396
HIS A 459
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.17A 4ef3A-3aw5A:
45.2		 4ef3A-3aw5A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 394
HIS A 461
HIS A  92
HIS A  94
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.67A 4ef3A-3aw5A:
45.2		 4ef3A-3aw5A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1004_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.86A 4ef3A-1hfuA:
31.7		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1004_0
(BLUE COPPER OXIDASE
CUEO)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.18A 4ef3A-1hfuA:
31.7		 4ef3A-1hfuA:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1004_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.40A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1004_0
(BLUE COPPER OXIDASE
CUEO)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.94A 4ef3A-3abgA:
42.2		 4ef3A-3abgA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1004_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.20A 4ef3A-3aw5A:
45.2		 4ef3A-3aw5A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1004_0
(BLUE COPPER OXIDASE
CUEO)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.84A 4ef3A-3aw5A:
45.2		 4ef3A-3aw5A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJW_A_SRYA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 558
ALA A 448
HIS A 446
GLN A 458
ARG A 577
 None
GOL  A 703 (-3.4A)
None
None
None
 1.12A 4ejwA-4fixA:
undetectable		 4ejwA-4fixA:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 11 TYR A 514
VAL A 530
SER A 427
TYR A 425
ALA A 579
 CO3  A 701 ( 3.8A)
None
None
FE  A 703 ( 4.1A)
None
 1.19A 4evrA-1jnfA:
1.0		 4evrA-1jnfA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 11 TYR E 514
VAL E 530
SER E 427
TYR E 425
ALA E 579
 CO3  E 701 ( 3.8A)
None
None
FE  E 703 ( 4.1A)
None
 1.19A 4evrA-1suvE:
1.4		 4evrA-1suvE:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.17A 4feuB-5wzrA:
undetectable		 4feuB-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 8 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.20A 4feuF-5wzrA:
undetectable		 4feuF-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.19A 4fevB-5wzrA:
undetectable		 4fevB-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.23A 4fevD-5wzrA:
undetectable		 4fevD-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.21A 4fevF-5wzrA:
undetectable		 4fevF-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.17A 4fewB-5wzrA:
undetectable		 4fewB-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 8 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.21A 4fewF-5wzrA:
undetectable		 4fewF-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.21A 4fexB-5wzrA:
undetectable		 4fexB-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 5opq 3,6-ANHYDRO-D-GALACT
OSIDASE
(Zobellia
galactanivorans) 		5 / 12 GLU A 517
GLY A 532
SER A 426
VAL A 389
TYR A 422
 TRS  A 703 (-2.9A)
None
None
None
None
 1.43A 4ffwB-5opqA:
undetectable		 4ffwB-5opqA:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 ILE A 402
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.78A 4fogA-5t0lA:
37.3		 4fogA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 LYS A 371
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.45A 4fogA-5t0lA:
37.3		 4fogA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 ILE A 402
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.98A 4fogC-5t0lA:
38.3		 4fogC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.62A 4fogC-5t0lA:
38.3		 4fogC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 11 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.83A 4fogD-5t0lA:
38.8		 4fogD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 11 LYS A 371
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.58A 4fogD-5t0lA:
38.8		 4fogD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.46A 4foxA-5t0lA:
37.6		 4foxA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.83A 4foxA-5t0lA:
37.6		 4foxA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.43A 4foxB-5t0lA:
37.7		 4foxB-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.92A 4foxB-5t0lA:
37.7		 4foxB-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 GLU A 381
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.50A 4foxC-5t0lA:
37.5		 4foxC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.90A 4foxC-5t0lA:
37.5		 4foxC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.50A 4foxD-5t0lA:
38.8		 4foxD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.77A 4foxD-5t0lA:
38.8		 4foxD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.87A 4foxE-5t0lA:
37.5		 4foxE-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 LYS A 371
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.44A 4foxE-5t0lA:
37.5		 4foxE-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.55A 4foxF-5t0lA:
37.6		 4foxF-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.89A 4foxF-5t0lA:
37.6		 4foxF-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.48A 4foxG-5t0lA:
37.7		 4foxG-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.91A 4foxG-5t0lA:
37.7		 4foxG-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 GLU A 381
ILE A 402
TRP A 403
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.49A 4foxH-5t0lA:
37.4		 4foxH-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 11 ILE A 402
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.75A 4foxH-5t0lA:
37.4		 4foxH-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 294
GLY A 295
LEU A 313
SER A 314
ASP A 338
 None
None
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
 0.53A 4fp9D-5wp4A:
10.5		 4fp9D-5wp4A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 294
GLY A 296
LEU A 313
SER A 314
ASP A 338
 None
None
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
 0.90A 4fp9D-5wp4A:
10.5		 4fp9D-5wp4A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.54A 4fqsA-5t0lA:
38.7		 4fqsA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.82A 4fqsA-5t0lA:
38.7		 4fqsA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.56A 4fqsB-5t0lA:
38.7		 4fqsB-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.83A 4fqsB-5t0lA:
38.7		 4fqsB-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		4 / 5 HIS A  56
GLN A 192
GLY A 193
SER A 195
 ARG  A 703 (-4.3A)
ARG  A 703 (-3.1A)
ARG  A 703 (-3.6A)
ARG  A 703 (-2.3A)
 0.89A 4fu8A-1pq5A:
34.2		 4fu8A-1pq5A:
33.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 294
GLY A 295
LEU A 313
SER A 314
ASP A 338
 None
None
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
 0.45A 4fzvA-5wp4A:
10.4		 4fzvA-5wp4A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 294
GLY A 296
LEU A 313
SER A 314
ASP A 338
 None
None
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
 0.84A 4fzvA-5wp4A:
10.4		 4fzvA-5wp4A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 8 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.18A 4gkhD-5wzrA:
undetectable		 4gkhD-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 7 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.21A 4gkhG-5wzrA:
undetectable		 4gkhG-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 6 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.18A 4gkhJ-5wzrA:
undetectable		 4gkhJ-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		4 / 8 ASP A 206
ASP A 257
ASP A 238
ASP A 122
 C8E  A 703 ( 4.1A)
None
None
None
 1.05A 4gkhC-5ivaA:
undetectable
4gkhK-5ivaA:
undetectable		 4gkhC-5ivaA:
18.32
4gkhK-5ivaA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 8 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.19A 4gkiC-5wzrA:
undetectable		 4gkiC-5wzrA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		4 / 8 ASP A 206
ASP A 257
ASP A 238
ASP A 122
 C8E  A 703 ( 4.1A)
None
None
None
 1.03A 4gkiE-5ivaA:
undetectable
4gkiG-5ivaA:
undetectable		 4gkiE-5ivaA:
18.32
4gkiG-5ivaA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H9M_A_HAEA929_1
(UREASE)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 456
HIS A 134
HIS A  94
HIS A 403
 CU  A 701 (-3.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
 0.97A 4h9mA-3abgA:
undetectable		 4h9mA-3abgA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 ALA A 325
ILE A 251
ASP A 288
GLY A 292
GLY A 290
 None
None
SAH  A 703 ( 4.6A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.0A)
 1.20A 4hfpB-5wp4A:
undetectable		 4hfpB-5wp4A:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_D_15UD402_1
(PROTHROMBIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 12 HIS A  56
ASP A 189
VAL A 210
TRP A 212
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-4.5A)
None
ARG  A 703 (-2.6A)
 0.33A 4hfpD-1pq5A:
32.2		 4hfpD-1pq5A:
34.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_B_HFGB1602_1
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 136
THR A 139
GLU A 466
HIS A  92
 None
None
C2O  A 702 ( 4.5A)
CU  A 703 ( 3.0A)
 1.35A 4hvcB-3aw5A:
undetectable		 4hvcB-3aw5A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 ILE A 113
THR A 109
THR A 567
ILE A 608
GLU A 373
 ZPE  A 703 ( 4.6A)
ZPE  A 703 ( 4.4A)
None
ZPE  A 703 ( 4.9A)
ZPE  A 703 (-4.1A)
 1.16A 4i41A-5lc8A:
undetectable		 4i41A-5lc8A:
16.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 7 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.46A 4iqqB-5t0lA:
40.1		 4iqqB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.55A 4iqqB-5t0lA:
40.1		 4iqqB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 7 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 4iqqC-5t0lA:
40.3		 4iqqC-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.54A 4iqqC-5t0lA:
40.3		 4iqqC-5t0lA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 290
GLY A 292
ARG A 355
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.0A)
 0.18A 4iv0A-5wp4A:
39.4		 4iv0A-5wp4A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_A_SAMA302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		4 / 4 SER A 264
ASP A 312
MET A 317
ASP A 338
 SAH  A 703 (-2.6A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
 0.63A 4iv0A-5wp4A:
39.4		 4iv0A-5wp4A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		7 / 12 TYR A 246
GLY A 290
GLY A 292
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
 0.55A 4iv0B-5wp4A:
38.1		 4iv0B-5wp4A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		7 / 12 GLY A 290
GLY A 292
ASP A 312
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
 0.50A 4iv8A-5wp4A:
33.7		 4iv8A-5wp4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 GLY A 290
GLY A 292
ASP A 312
ASP A 338
ARG A 355
LEU A 367
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
None
None
 1.14A 4iv8B-5wp4A:
33.5		 4iv8B-5wp4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		7 / 12 GLY A 290
GLY A 292
ASP A 312
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
 0.54A 4iv8B-5wp4A:
33.5		 4iv8B-5wp4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 4gvo LMO2349 PROTEIN
(Listeria
monocytogenes) 		4 / 9 PHE A  84
HIS A 101
PHE A 123
ILE A 195
 HIS  A 703 ( 3.7A)
CSX  A 704 ( 4.5A)
CSX  A 704 ( 3.4A)
None
 1.30A 4jvlA-4gvoA:
undetectable		 4jvlA-4gvoA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 ILE A 311
LEU A 241
ILE A 361
LEU A 367
VAL A 289
 None
SAH  A 703 (-4.0A)
None
None
None
 1.07A 4kfjB-5wp4A:
undetectable		 4kfjB-5wp4A:
16.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		10 / 12 PHE A 237
TYR A 246
GLY A 290
GLY A 292
LEU A 313
SER A 314
ASP A 338
ARG A 355
HIS A 360
ILE A 361
 None
SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
None
 0.61A 4krhA-5wp4A:
39.2		 4krhA-5wp4A:
33.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		10 / 12 PHE A 237
TYR A 246
PHE A 262
GLY A 290
GLY A 292
LEU A 313
SER A 314
ARG A 355
HIS A 360
ILE A 361
 None
SAH  A 703 ( 4.0A)
None
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
None
SAH  A 703 (-4.0A)
None
 0.71A 4krhB-5wp4A:
39.4		 4krhB-5wp4A:
33.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 6 TYR A 318
VAL A 316
ILE A 272
LEU A 259
 None
None
None
SAH  A 703 ( 3.8A)
 0.93A 4l1wB-4s28A:
7.1		 4l1wB-4s28A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 2qib TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR
(Streptomyces
coelicolor) 		5 / 12 LEU A  88
ALA A 191
ILE A 157
LEU A 140
LEU A 137
 P6G  A 703 (-4.0A)
None
P6G  A 701 ( 4.8A)
None
None
 1.14A 4l9qB-2qibA:
4.4		 4l9qB-2qibA:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A201_1
(PROTEASE)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		4 / 8 ALA A 133
GLY A 182
VAL A 210
ILE A 199
 None
None
ARG  A 703 (-4.5A)
None
 0.74A 4ll3A-1pq5A:
undetectable		 4ll3A-1pq5A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_G_FOLG301_0
(FOLATE RECEPTOR
ALPHA)		 4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]
(Rattus
norvegicus) 		5 / 12 TYR A 235
ARG A 405
LYS A 243
GLY A 242
SER A 286
 None
GTP  A 703 ( 2.8A)
SPV  A 704 (-4.5A)
None
SPV  A 704 ( 2.8A)
 1.09A 4lrhG-4ox2A:
0.0		 4lrhG-4ox2A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		4 / 7 SER A 195
ALA A 221
SER A 220
ARG A 217
 None
CA  A 703 (-4.5A)
None
None
 1.22A 4lv9A-1nugA:
undetectable
4lv9B-1nugA:
undetectable		 4lv9A-1nugA:
21.64
4lv9B-1nugA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 5gy0 GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TRP A 302
GLN A 296
THR A 303
 None
None
CL  A 703 (-4.0A)
 0.92A 4m2xA-5gy0A:
undetectable		 4m2xA-5gy0A:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 5m1t MUCR
PHOSPHODIESTERASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 591
ASP A 613
ALA A 646
ASP A 590
 MG  A 703 ( 3.3A)
None
None
MG  A 702 (-2.6A)
 1.20A 4mdaA-5m1tA:
undetectable		 4mdaA-5m1tA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 5m1t MUCR
PHOSPHODIESTERASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 591
ASP A 613
ALA A 646
ASP A 590
 MG  A 703 ( 3.3A)
None
None
MG  A 702 (-2.6A)
 1.21A 4mdbA-5m1tA:
undetectable		 4mdbA-5m1tA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 10 PRO A 198
VAL A 210
ALA A 209
GLY A 139
GLY A  42
 None
ARG  A 703 (-4.5A)
None
None
None
 1.19A 4mmdA-1pq5A:
undetectable		 4mmdA-1pq5A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 12 PRO A 198
VAL A 210
ALA A 209
TYR A 225
GLY A 139
GLY A  42
 None
ARG  A 703 (-4.5A)
None
None
None
None
 1.48A 4mmdB-1pq5A:
undetectable		 4mmdB-1pq5A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 TYR A 246
GLY A 290
GLY A 292
MET A 317
ARG A 355
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-3.8A)
None
SAH  A 703 (-4.0A)
 0.57A 4mwzA-5wp4A:
37.8		 4mwzA-5wp4A:
29.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		3 / 3 SER A 264
ASP A 312
ASP A 338
 SAH  A 703 (-2.6A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
 0.20A 4mwzA-5wp4A:
37.8		 4mwzA-5wp4A:
29.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 TYR A 246
GLY A 290
GLY A 292
ARG A 355
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.0A)
 0.19A 4mwzB-5wp4A:
39.4		 4mwzB-5wp4A:
29.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_B_SAMB301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		4 / 4 SER A 264
ASP A 312
MET A 317
ASP A 338
 SAH  A 703 (-2.6A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
 0.63A 4mwzB-5wp4A:
39.4		 4mwzB-5wp4A:
29.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		 5dfa BETA-GALACTOSIDASE
(Geobacillus
stearothermophil
us) 		4 / 5 LEU A 359
SER A 283
LEU A  17
ASN A 158
 None
None
None
GOL  A 703 ( 4.0A)
 1.16A 4n09B-5dfaA:
3.8		 4n09B-5dfaA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 5mu5 UNCHARACTERIZED
PROTEIN
(Magnetospirillum
magneticum) 		5 / 12 GLY A 457
GLY A 461
ASN A 458
THR A 472
GLY A 417
 None
CL  A 703 ( 3.7A)
None
None
None
 1.16A 4n48A-5mu5A:
undetectable		 4n48A-5mu5A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		4 / 5 HIS A 118
PHE A 165
LEU A 169
PRO A 198
 NAD  A 703 ( 4.9A)
EDO  A 505 ( 4.0A)
None
None
 0.97A 4o8zA-1s7gA:
23.2		 4o8zA-1s7gA:
29.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA306_1
(CHITOSANASE)		 6frv GLUCOAMYLASE
(Aspergillus
niger) 		3 / 3 SER A  64
ASP A 438
GLN A 433
 None
NAG  A 703 (-3.1A)
None
 0.87A 4oltA-6frvA:
undetectable
4oltB-6frvA:
undetectable		 4oltA-6frvA:
17.67
4oltB-6frvA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 5bup ZONA PELLUCIDA
SPERM-BINDING
PROTEIN 2
(Mus
musculus) 		5 / 11 LEU A 622
SER A 620
SER A 609
ASP A 537
LEU A 611
 None
None
ACT  A 701 (-3.3A)
ACT  A 703 ( 3.3A)
None
 1.46A 4or0A-5bupA:
undetectable		 4or0A-5bupA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OT2_A_ACTA605_0
(SERUM ALBUMIN)		 4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]
(Rattus
norvegicus) 		3 / 3 LYS A 244
LYS A 290
ALA A 481
 MN  A 701 ( 2.4A)
GTP  A 703 (-2.6A)
None
 1.47A 4ot2A-4ox2A:
2.9		 4ot2A-4ox2A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 5m1t MUCR
PHOSPHODIESTERASE
(Pseudomonas
aeruginosa) 		4 / 5 VAL A 649
GLU A 647
VAL A 645
LYS A 611
 None
MG  A 703 ( 2.2A)
None
MG  A 702 ( 4.4A)
 1.39A 4p6vB-5m1tA:
undetectable
4p6vE-5m1tA:
undetectable		 4p6vB-5m1tA:
21.24
4p6vE-5m1tA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 503
GLN A 502
LEU A 501
GLY A 481
ALA A 508
 None
BGC  A 703 (-2.6A)
None
None
None
 1.17A 4pclA-5awpA:
undetectable		 4pclA-5awpA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		5 / 11 GLY A  18
GLY A  19
THR A  27
ASP A  42
ASP A  69
 NAD  A 703 (-3.4A)
None
None
NAD  A 703 (-2.7A)
NAD  A 703 (-3.4A)
 0.90A 4pghA-1z45A:
5.9		 4pghA-1z45A:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		3 / 3 PRO A 208
MET A 209
TYR A 206
 None
None
MLI  A 703 (-4.3A)
 0.91A 4qa2B-6b3bA:
2.3		 4qa2B-6b3bA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 290
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.83A 4qdjA-5wp4A:
18.9		 4qdjA-5wp4A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB304_1
(CHITOSANASE)		 6frv GLUCOAMYLASE
(Aspergillus
niger) 		3 / 3 GLN A 433
SER A  64
ASP A 438
 None
None
NAG  A 703 (-3.1A)
 0.88A 4qwpA-6frvA:
undetectable
4qwpB-6frvA:
undetectable		 4qwpA-6frvA:
17.34
4qwpB-6frvA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.27A 4r29A-4z3yA:
undetectable		 4r29A-4z3yA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.25A 4r29B-4z3yA:
undetectable		 4r29B-4z3yA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.27A 4r29C-4z3yA:
undetectable		 4r29C-4z3yA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		4 / 8 THR A  46
GLU A  56
VAL A  61
LEU A  60
 None
None
None
SO4  A 703 ( 4.3A)
 0.77A 4r3aA-1wpnA:
undetectable		 4r3aA-1wpnA:
18.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 12 HIS A  56
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.37A 4rn6B-1pq5A:
26.8		 4rn6B-1pq5A:
34.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		5 / 11 THR A 584
HIS A 562
GLN A 587
HIS A 451
ASP A 404
 None
FE  A 702 ( 3.4A)
None
D5M  A 701 (-4.1A)
ZN  A 703 (-2.7A)
 1.25A 4rp8A-5iheA:
0.0		 4rp8A-5iheA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5uqd DUMPY: SHORTER THAN
WILD-TYPE
(Caenorhabditis
elegans) 		4 / 5 ILE A1408
PHE A1586
SER A1403
ASP A1454
 PG0  A1703 (-4.2A)
None
None
FE2  A1702 (-2.6A)
 1.32A 4rzvB-5uqdA:
undetectable		 4rzvB-5uqdA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		4 / 7 PRO 1 671
TRP 1 461
ASP 1 462
THR 1 466
 None
None
None
GLY  1 703 ( 4.6A)
 1.18A 4uacA-1y791:
undetectable		 4uacA-1y791:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 6 HIS A 123
HIS A  98
HIS A 194
HIS A 220
ASP A 253
 FE  A 703 (-3.3A)
FE  A 703 (-3.2A)
FE  A 704 ( 3.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-2.5A)
 1.03A 4ubpC-2ibnA:
undetectable		 4ubpC-2ibnA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 290
GLY A 292
GLY A 294
LEU A 313
THR A 340
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.1A)
SAH  A 703 ( 4.3A)
 0.83A 4uckA-5wp4A:
7.1		 4uckA-5wp4A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2
(Homo
sapiens) 		5 / 11 ASN B  39
ASP B  42
ASP B  68
MET B  73
THR B 197
 MG  B 703 ( 2.7A)
None
ATP  B 702 (-3.4A)
ATP  B 702 (-3.6A)
ATP  B 702 (-3.7A)
 0.81A 4urnA-5ofbB:
11.4		 4urnA-5ofbB:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2
(Homo
sapiens) 		5 / 11 ASN B  39
ASP B  42
ASP B  68
MET B  73
THR B 197
 MG  B 703 ( 2.7A)
None
ATP  B 702 (-3.4A)
ATP  B 702 (-3.6A)
ATP  B 702 (-3.7A)
 0.91A 4urnC-5ofbB:
11.3		 4urnC-5ofbB:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UY8_7_TRP71002_0
(TRYPTOPHANASE)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		4 / 4 ILE A 608
ASN A 607
ILE A 192
VAL A 189
 ZPE  A 703 ( 4.9A)
ZPE  A 703 ( 3.9A)
ZPE  A 703 ( 4.7A)
None
 1.18A 4uy87-5lc8A:
undetectable		 4uy87-5lc8A:
5.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WQ5_B_ACTB404_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 TYR A 374
ARG A 621
LYS A 433
 ATP  A 701 ( 4.2A)
MG  A 703 ( 4.4A)
MG  A 703 ( 4.7A)
 1.40A 4wq5B-1xdpA:
undetectable		 4wq5B-1xdpA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 LEU A 659
ALA A 591
HIS A 594
ILE A 400
THR A 463
 None
None
FE  A 703 ( 3.4A)
None
CO3  A 701 (-4.3A)
 0.94A 4xdrA-1h76A:
0.0		 4xdrA-1h76A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 5hns NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 10 ALA A 427
VAL A 429
ASP A 428
TYR A 420
GLY A 426
 NAG  A 704 (-3.6A)
NAG  A 703 ( 4.7A)
NAG  A 704 (-4.6A)
None
None
 1.26A 4xp1A-5hnsA:
undetectable		 4xp1A-5hnsA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 4hhr ALPHA-DIOXYGENASE
(Arabidopsis
thaliana) 		4 / 6 ARG A  91
ARG A 566
VAL A 223
ASP A 164
 None
CL  A 711 (-3.3A)
None
CA  A 703 (-3.3A)
 1.28A 4xqeB-4hhrA:
undetectable		 4xqeB-4hhrA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 6fmq -
(-) 		5 / 12 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.28A 4xucA-6fmqA:
undetectable		 4xucA-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 6fmq -
(-) 		5 / 12 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.47A 4xucA-6fmqA:
undetectable		 4xucA-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 6fmq -
(-) 		5 / 12 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.26A 4xudA-6fmqA:
undetectable		 4xudA-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens) 		5 / 12 VAL A 156
GLY A 151
TYR A 154
ILE A 147
ASN A 163
 DGT  A 703 ( 3.6A)
None
None
None
None
 1.42A 4xueB-4zweA:
undetectable		 4xueB-4zweA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 6fmq -
(-) 		5 / 12 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.27A 4xueB-6fmqA:
undetectable		 4xueB-6fmqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 SER A 524
TYR A 525
PHE A 385
GLU A 381
 None
None
None
CB3  A 703 ( 4.1A)
 1.27A 4xzkA-5t0lA:
undetectable		 4xzkA-5t0lA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_B_MZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		5 / 10 ASP A 367
HIS A 320
HIS A 271
HIS A 492
ALA A 556
 None
CA  A 703 (-3.3A)
CA  A 703 (-3.2A)
DJN  A 702 (-3.5A)
DJN  A 702 ( 4.0A)
 1.30A 4yhaB-5wzrA:
undetectable		 4yhaB-5wzrA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		3 / 3 ARG A 211
ASP A 207
TYR A 184
 None
None
GLC  A 703 ( 4.4A)
 0.78A 4yo9B-5axhA:
1.9		 4yo9B-5axhA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2D_F_LFXF102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 2dru CHIMERA OF CD48
ANTIGEN AND T-CELL
SURFACE ANTIGEN CD2
(Rattus
norvegicus) 		3 / 4 ARG A  81
GLY A  82
GLU A 101
 GOL  A 702 (-3.4A)
None
GOL  A 703 (-4.0A)
 0.67A 4z2dB-2druA:
undetectable
4z2dC-2druA:
undetectable		 4z2dB-2druA:
15.51
4z2dC-2druA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3
(Mus
musculus) 		4 / 5 PHE A 176
PRO A 178
VAL A 157
PHE A 425
 None
PGE  A 703 ( 4.9A)
None
PGE  A 703 ( 4.4A)
 1.31A 4z4cA-5verA:
undetectable		 4z4cA-5verA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6gy5 -
(-) 		3 / 3 ALA A 464
TYR A 463
PRO A 482
 None
None
EDO  A 703 ( 4.9A)
 0.59A 4zdyA-6gy5A:
undetectable		 4zdyA-6gy5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		4 / 5 VAL A  84
TYR A 343
ILE A 341
THR A 441
 None
None
None
ATP  A 703 ( 3.7A)
 1.06A 4ze1A-5k8fA:
undetectable		 4ze1A-5k8fA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		4 / 6 CYH A  38
GLY A  18
GLY A  19
ASP A  42
 None
NAD  A 703 (-3.4A)
None
NAD  A 703 (-2.7A)
 0.97A 5a06D-1z45A:
7.4		 5a06D-1z45A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)		 2dbn HYPOTHETICAL PROTEIN
YBIU
(Escherichia
coli) 		3 / 3 ASP A 186
ARG A 187
TYR A 361
 None
None
SO4  A 703 ( 4.2A)
 0.76A 5a7mA-2dbnA:
undetectable		 5a7mA-2dbnA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)		 2dbn HYPOTHETICAL PROTEIN
YBIU
(Escherichia
coli) 		3 / 3 ASP A 186
ARG A 187
TYR A 361
 None
None
SO4  A 703 ( 4.2A)
 0.79A 5a7mB-2dbnA:
undetectable		 5a7mB-2dbnA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADD_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 6 VAL B 487
VAL B 448
TRP B 482
PHE B 479
 None
None
None
K  B 703 ( 4.8A)
 0.97A 5addA-1ovlB:
0.5
5addB-1ovlB:
0.2		 5addA-1ovlB:
22.20
5addB-1ovlB:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.25A 5adlA-1ovlB:
undetectable
5adlB-1ovlB:
1.5		 5adlA-1ovlB:
19.51
5adlB-1ovlB:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B2O_B_ACTB120_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
(Francisella
tularensis) 		4 / 4 ASN A1248
SER A1368
ARG A1370
PRO A1444
 NA  A1703 ( 3.4A)
None
U  B  24 (-3.8A)
U  B  45 ( 4.1A)
 0.00A 5b2oA-5b2oA:
52.9		 5b2oA-5b2oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B2P_B_ACTB120_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
(Francisella
tularensis) 		4 / 4 ASN A1248
SER A1368
ARG A1370
PRO A1444
 NA  A1703 ( 3.4A)
None
U  B  24 (-3.8A)
U  B  45 ( 4.1A)
 0.06A 5b2pA-5b2oA:
36.5		 5b2pA-5b2oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
(Francisella
tularensis) 		3 / 3 ASN A1248
SER A1368
ARG A1370
 NA  A1703 ( 3.4A)
None
U  B  24 (-3.8A)
 0.04A 5b2qA-5b2oA:
undetectable		 5b2qA-5b2oA:
99.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 6gy5 -
(-) 		3 / 3 VAL A 443
THR A 441
ARG A 432
 None
None
EDO  A 703 (-3.0A)
 0.76A 5b2sB-6gy5A:
undetectable		 5b2sB-6gy5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 6gy5 -
(-) 		3 / 3 VAL A 443
THR A 441
ARG A 432
 None
None
EDO  A 703 (-3.0A)
 0.77A 5b2tB-6gy5A:
undetectable		 5b2tB-6gy5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 1ps9 2,4-DIENOYL-COA
REDUCTASE
(Escherichia
coli) 		5 / 12 ALA A 510
GLY A 501
GLY A 506
GLY A 504
LEU A 560
 None
NAP  A 703 ( 3.9A)
None
NAP  A 703 (-3.5A)
None
 1.06A 5c0oH-1ps9A:
5.1		 5c0oH-1ps9A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN
(Agrobacterium
tumefaciens) 		4 / 6 GLU D 495
GLY D 463
ASP D 462
GLY D 505
 None
EDO  D 703 (-3.8A)
CA  D 709 ( 2.9A)
None
 0.84A 5cdnR-6eq8D:
5.2
5cdnS-6eq8D:
undetectable		 5cdnR-6eq8D:
11.14
5cdnS-6eq8D:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN
(Agrobacterium
tumefaciens) 		4 / 6 GLU D 495
GLY D 463
ASP D 462
GLY D 505
 None
EDO  D 703 (-3.8A)
CA  D 709 ( 2.9A)
None
 0.78A 5cdnC-6eq8D:
5.0
5cdnD-6eq8D:
undetectable		 5cdnC-6eq8D:
11.14
5cdnD-6eq8D:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN
(Agrobacterium
tumefaciens) 		4 / 6 GLU D 495
GLY D 463
ASP D 462
GLY D 505
 None
EDO  D 703 (-3.8A)
CA  D 709 ( 2.9A)
None
 0.81A 5cdnT-6eq8D:
5.0
5cdnU-6eq8D:
undetectable		 5cdnT-6eq8D:
11.14
5cdnU-6eq8D:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 5icq METHYLOCYSTIS PARVUS
OBBP MBNE
(Methylocystis
parvus) 		5 / 10 ALA A 341
GLU A 340
LEU A 424
ARG A 395
GLY A 429
 None
None
None
SO4  A 703 (-3.7A)
None
 1.36A 5dxbA-5icqA:
undetectable		 5dxbA-5icqA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_A_212A404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 3lg5 EPI-ISOZIZAENE
SYNTHASE
(Streptomyces
coelicolor) 		7 / 9 ASP A  99
ARG A 194
ASN A 240
SER A 244
GLU A 248
ARG A 338
TYR A 339
 MG  A 701 (-2.5A)
POP  A 703 (-2.8A)
MG  A 702 (-2.6A)
MG  A 702 ( 2.3A)
MG  A 702 ( 2.6A)
POP  A 703 (-4.0A)
POP  A 703 ( 4.4A)
 0.72A 5dz2A-3lg5A:
36.0		 5dz2A-3lg5A:
24.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_B_212B404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 3lg5 EPI-ISOZIZAENE
SYNTHASE
(Streptomyces
coelicolor) 		7 / 9 ASP A  99
ARG A 194
ASN A 240
SER A 244
GLU A 248
ARG A 338
TYR A 339
 MG  A 701 (-2.5A)
POP  A 703 (-2.8A)
MG  A 702 (-2.6A)
MG  A 702 ( 2.3A)
MG  A 702 ( 2.6A)
POP  A 703 (-4.0A)
POP  A 703 ( 4.4A)
 0.67A 5dz2B-3lg5A:
35.9		 5dz2B-3lg5A:
24.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5vxz GROWTH
ARREST-SPECIFIC
PROTEIN 6
(Homo
sapiens) 		4 / 8 VAL A 306
TYR A 296
GLY A 303
GLY A 332
 None
None
None
CA  A 703 ( 4.7A)
 0.83A 5e26C-5vxzA:
undetectable
5e26D-5vxzA:
undetectable		 5e26C-5vxzA:
21.18
5e26D-5vxzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E72_A_SAMA400_1
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		4 / 4 ASP A 288
GLY A 292
ASP A 312
ASP A 338
 SAH  A 703 ( 4.6A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
 0.57A 5e72A-5wp4A:
14.6		 5e72A-5wp4A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 12 GLY A 139
GLY A  43
GLY A 196
GLY A 193
THR A  53
VAL A  51
 None
None
None
ARG  A 703 (-3.6A)
None
None
 1.31A 5eiwC-1pq5A:
undetectable		 5eiwC-1pq5A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERM_A_210A401_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		6 / 10 ASP A 351
ASP A 355
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.17A 5ermA-1n21A:
8.9		 5ermA-1n21A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERM_A_210A401_1
(FUSICOCCADIENE
SYNTHASE)		 3lg5 EPI-ISOZIZAENE
SYNTHASE
(Streptomyces
coelicolor) 		8 / 10 ASP A  99
ARG A 194
ASN A 240
SER A 244
LYS A 247
GLU A 248
ARG A 338
TYR A 339
 MG  A 701 (-2.5A)
POP  A 703 (-2.8A)
MG  A 702 (-2.6A)
MG  A 702 ( 2.3A)
POP  A 703 (-2.8A)
MG  A 702 ( 2.6A)
POP  A 703 (-4.0A)
POP  A 703 ( 4.4A)
 0.57A 5ermA-3lg5A:
6.1		 5ermA-3lg5A:
26.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERM_B_210B704_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 9 ASP A 351
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 703 (-2.4A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.11A 5ermB-1n21A:
12.7		 5ermB-1n21A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERM_B_210B704_1
(FUSICOCCADIENE
SYNTHASE)		 3lg5 EPI-ISOZIZAENE
SYNTHASE
(Streptomyces
coelicolor) 		8 / 9 ASP A  99
ARG A 194
ASN A 240
SER A 244
LYS A 247
GLU A 248
ARG A 338
TYR A 339
 MG  A 701 (-2.5A)
POP  A 703 (-2.8A)
MG  A 702 (-2.6A)
MG  A 702 ( 2.3A)
POP  A 703 (-2.8A)
MG  A 702 ( 2.6A)
POP  A 703 (-4.0A)
POP  A 703 ( 4.4A)
 0.56A 5ermB-3lg5A:
23.1		 5ermB-3lg5A:
26.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 9 ASP A 355
ASP A 509
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 1.14A 5eroB-1n21A:
10.0		 5eroB-1n21A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 351
ASP A 352
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.4A)
None
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 0.80A 5eroC-1n21A:
11.3		 5eroC-1n21A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 355
ASP A 352
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.7A)
None
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 1.36A 5eroC-1n21A:
11.3		 5eroC-1n21A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 355
ASP A 509
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 1.16A 5eroC-1n21A:
11.3		 5eroC-1n21A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5uv2 (+)-LIMONENE
SYNTHASE
(Citrus
sinensis) 		5 / 10 ASP A 343
ASP A 344
ASP A 347
ASP A 488
ASP A 489
 MN  A 702 (-2.7A)
None
MN  A 701 (-2.7A)
MN  A 703 ( 2.8A)
None
 1.09A 5eroC-5uv2A:
13.8		 5eroC-5uv2A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 5x8t 50S RIBOSOMAL
PROTEIN L14,
CHLOROPLASTIC
(Spinacia
oleracea) 		4 / 5 ASN L   9
LEU L  19
HIS L   7
CYH L  21
 None
None
G  A1703 ( 4.1A)
None
 1.38A 5eu8A-5x8tL:
undetectable		 5eu8A-5x8tL:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 LEU A 358
LEU A  12
GLY A 419
SER A 417
 None
None
None
ACT  A 703 ( 4.0A)
 0.80A 5f1aA-4qjyA:
undetectable		 5f1aA-4qjyA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.64A 5fctA-5t0lA:
45.3		 5fctA-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		12 / 12 LYS A 371
VAL A 373
PHE A 374
ILE A 402
TRP A 403
LEU A 486
CYH A 489
LEU A 516
TYR A 553
MET A 606
MET A 608
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 ( 3.6A)
None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-2.9A)
CB3  A 703 (-3.7A)
UMP  A 701 (-4.4A)
None
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.50A 5fctB-5t0lA:
45.5		 5fctB-5t0lA:
35.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.25A 5fj3A-1ovlB:
undetectable
5fj3B-1ovlB:
undetectable		 5fj3A-1ovlB:
19.51
5fj3B-1ovlB:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA602_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		3 / 3 TRP A 275
GLU A 315
ASP A 393
 None
GOL  A 706 (-3.3A)
GOL  A 703 (-3.0A)
 0.21A 5gqbA-5zl9A:
64.5		 5gqbA-5zl9A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 5zl9 CHITINASE AB
(Serratia
marcescens) 		8 / 8 PHE A 191
GLY A 274
TRP A 275
GLU A 315
TYR A 392
ASP A 393
ARG A 448
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-4.0A)
GOL  A 706 ( 3.8A)
 0.30A 5gqbA-5zl9A:
64.5		 5gqbA-5zl9A:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 7 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.52A 5h3aB-5t0lA:
42.8		 5h3aB-5t0lA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		4 / 6 ARG A  25
PHE A  29
GLU A 454
VAL A 452
 None
None
HEZ  A 703 (-4.3A)
None
 1.26A 5h4dA-5ya1A:
undetectable		 5h4dA-5ya1A:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H5F_A_SAMA301_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 3gl1 HEAT SHOCK PROTEIN
SSB1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 240
ASP A 288
ARG A 265
LEU A 300
ALA A 273
 None
MG  A 703 ( 3.0A)
CL  A 711 ( 4.0A)
None
None
 1.10A 5h5fA-3gl1A:
undetectable		 5h5fA-3gl1A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 4hhr ALPHA-DIOXYGENASE
(Arabidopsis
thaliana) 		4 / 5 GLY A 226
PRO A 468
THR A 231
THR A 216
 None
None
CL  A 713 ( 4.5A)
CA  A 703 (-3.6A)
 1.20A 5h5fA-4hhrA:
undetectable		 5h5fA-4hhrA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 167
THR A  82
GLY A 187
THR A  87
SER A 176
 None
None
None
None
MTE  A 703 ( 4.0A)
 1.40A 5hfjG-4z3yA:
undetectable		 5hfjG-4z3yA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 5vxz GROWTH
ARREST-SPECIFIC
PROTEIN 6
(Homo
sapiens) 		5 / 12 ASP A 329
GLU A 331
ALA A 349
THR A 422
PRO A 439
 CA  A 703 (-2.2A)
None
None
None
None
 1.14A 5hnzB-5vxzA:
undetectable		 5hnzB-5vxzA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_K_IPHK101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300
(Homo
sapiens) 		4 / 6 VAL A1259
CYH A1272
CYH A1247
HIS A1255
 None
ZN  A1702 (-2.3A)
ZN  A1702 (-2.3A)
ZN  A1703 (-3.1A)
 1.43A 5hrqH-5lkzA:
undetectable
5hrqK-5lkzA:
undetectable
5hrqL-5lkzA:
undetectable		 5hrqH-5lkzA:
5.19
5hrqK-5lkzA:
5.82
5hrqL-5lkzA:
5.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE
(Bos
taurus) 		7 / 12 ALA A 428
ILE A 472
THR A 474
TYR A 476
GLY A 480
GLU A 488
LEU A 528
 746  A 702 (-2.4A)
None
746  A 702 (-3.7A)
746  A 702 (-4.4A)
746  A 702 (-3.6A)
CA  A 703 ( 4.5A)
746  A 702 (-4.4A)
 0.82A 5i9xA-4y93A:
31.4		 5i9xA-4y93A:
26.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE
(Bos
taurus) 		8 / 12 ALA A 428
LYS A 430
THR A 474
TYR A 476
GLY A 480
GLU A 488
LEU A 528
SER A 538
 746  A 702 (-2.4A)
746  A 702 (-3.7A)
746  A 702 (-3.7A)
746  A 702 (-4.4A)
746  A 702 (-3.6A)
CA  A 703 ( 4.5A)
746  A 702 (-4.4A)
746  A 702 ( 3.8A)
 0.93A 5i9yA-4y93A:
31.1		 5i9yA-4y93A:
26.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_2
(CDL2.2)		 4qjy GH127
BETA-L-ARABINOFURANO
SIDASE
(Geobacillus
stearothermophil
us) 		6 / 12 PHE A 336
LEU A 358
ILE A 422
TYR A  82
GLU A  78
ALA A 416
 None
None
None
ACT  A 703 (-4.8A)
None
None
 1.24A 5ienB-4qjyA:
undetectable		 5ienB-4qjyA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)		 5jb3 30S RIBOSOMAL
PROTEIN S15
(Pyrococcus
abyssi) 		5 / 9 ILE Q  81
LEU Q  82
THR Q  47
ILE Q  50
GLY Q  51
 None
None
C  2 704 ( 2.9A)
None
U  2 703 ( 3.0A)
 0.97A 5ifuB-5jb3Q:
undetectable		 5ifuB-5jb3Q:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 6 ASP A 322
HIS A 366
TYR A 318
TYR A 550
 CA  A 703 (-2.1A)
CA  A 703 ( 3.3A)
None
None
 1.13A 5ih0A-5wzrA:
2.3		 5ih0A-5wzrA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 5j7wC-5t0lA:
38.6		 5j7wC-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 12 ILE A 402
LEU A 486
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 1.08A 5j7wC-5t0lA:
38.6		 5j7wC-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.74A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.71A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 1.08A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		3 / 3 ASP A 392
ASN A 581
PHE A 529
 FE  A 703 ( 3.0A)
None
None
 0.83A 5jglB-1jnfA:
undetectable		 5jglB-1jnfA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		3 / 3 ASP E 392
ASN E 581
PHE E 529
 FE  E 703 ( 3.0A)
None
None
 0.83A 5jglB-1suvE:
undetectable		 5jglB-1suvE:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		3 / 3 ASP A 352
ASN A 426
GLN A 433
 MTE  A 703 (-3.7A)
None
None
 0.81A 5k7uA-4z3yA:
undetectable		 5k7uA-4z3yA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KI6_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 6bn1 SERINE/THREONINE-PRO
TEIN KINASE HIPPO
(Drosophila
melanogaster) 		4 / 5 ARG A 643
GLN A 644
PRO A 645
ILE A 646
 MPD  A 703 ( 3.7A)
MPD  A 703 (-4.1A)
None
None
 1.33A 5ki6A-6bn1A:
undetectable		 5ki6A-6bn1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 SER A 264
GLY A 290
GLY A 292
SER A 314
ASP A 338
THR A 340
 SAH  A 703 (-2.6A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
SAH  A 703 ( 4.3A)
 0.91A 5kpcB-5wp4A:
22.8		 5kpcB-5wp4A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 3w1g DNA LIGASE 4
(Homo
sapiens) 		4 / 7 ASP A 441
PRO A 440
TYR A 438
SER A 292
 None
None
None
SO4  A 703 (-2.3A)
 1.26A 5l1fC-3w1gA:
undetectable		 5l1fC-3w1gA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 5cyr RNA-DEPENDENT RNA
POLYMERASE
(Thosea
asigna
virus) 		4 / 6 PHE B 283
THR B 438
TYR B 282
TYR B 270
 None
None
PO4  B 703 (-4.1A)
None
 0.95A 5lrbA-5cyrB:
undetectable		 5lrbA-5cyrB:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 5yq7 CYTOCHROME SUBUNIT
OF PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
(Roseiflexus
castenholzii) 		4 / 6 THR M 509
TYR M 511
TYR L 204
PHE C 227
 BPH  M 703 ( 4.7A)
None
HEM  C 503 (-4.4A)
None
 1.32A 5lrbA-5yq7M:
undetectable		 5lrbA-5yq7M:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 5yq7 CYTOCHROME SUBUNIT
OF PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
(Roseiflexus
castenholzii) 		4 / 6 THR M 509
TYR M 511
TYR L 208
PHE C 227
 BPH  M 703 ( 4.7A)
None
None
None
 1.26A 5lrbA-5yq7M:
undetectable		 5lrbA-5yq7M:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 8 HIS A 271
HIS A 320
LEU A 319
GLY A 364
 CA  A 703 (-3.2A)
CA  A 703 (-3.3A)
None
None
 0.79A 5m8rC-5wzrA:
undetectable		 5m8rC-5wzrA:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA501_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 111
HIS A  64
HIS A 453
HIS A 109
HIS A  66
 CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-3.0A)
 1.41A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA501_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 399
HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.85A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 401
HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.66A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 456
HIS A 401
HIS A 136
HIS A 403
HIS A  94
 CU  A 701 (-3.3A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
 1.43A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 458
HIS A 401
HIS A 136
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 1.31A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A  92
HIS A 134
HIS A 394
HIS A 396
HIS A 459
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.12A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 394
HIS A 461
HIS A  92
HIS A  94
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.66A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		6 / 6 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 399
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.66A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 6 HIS A 401
HIS A 451
HIS A  64
HIS A 111
 CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
 0.65A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		6 / 6 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 401
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
 0.35A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 6 HIS A  94
HIS A 136
HIS A 401
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
 0.78A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 6 HIS A 401
HIS A 403
HIS A 456
HIS A  94
HIS A 136
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
 0.75A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A  92
HIS A  94
HIS A 132
HIS A 394
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
 0.20A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A 394
HIS A 396
HIS A 459
HIS A  92
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.64A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 6 HIS A 394
HIS A 461
HIS A  92
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.78A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.81A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.01A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEJ_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.08A 5mejA-1hfuA:
60.6		 5mejA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.34A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.27A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mejA-3abgA:
31.0		 5mejA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.13A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mejA-3aw5A:
13.3		 5mejA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA501_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 111
HIS A  64
HIS A 453
HIS A 109
HIS A  66
 CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-3.0A)
 1.42A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA501_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 399
HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.86A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 401
HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.65A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 456
HIS A 401
HIS A 136
HIS A 403
HIS A  94
 CU  A 701 (-3.3A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
 1.44A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 458
HIS A 401
HIS A 136
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 1.32A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A  92
HIS A 134
HIS A 394
HIS A 396
HIS A 459
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.14A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 394
HIS A 461
HIS A  92
HIS A  94
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.64A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 459
HIS A 394
HIS A 134
HIS A 396
HIS A  92
 C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
 1.46A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		6 / 6 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 399
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.65A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 6 HIS A 401
HIS A 451
HIS A  64
HIS A 111
 CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
 0.65A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		6 / 6 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 401
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
 0.34A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 6 HIS A  94
HIS A 136
HIS A 401
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
 0.78A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 6 HIS A 401
HIS A 403
HIS A 456
HIS A  94
HIS A 136
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
 0.75A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A  92
HIS A  94
HIS A 132
HIS A 394
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
 0.19A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A 394
HIS A 396
HIS A 459
HIS A  92
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.65A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 6 HIS A 394
HIS A 461
HIS A  92
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.77A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.81A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.01A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MEW_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mewA-1hfuA:
60.5		 5mewA-1hfuA:
59.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.35A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.28A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mewA-3abgA:
31.0		 5mewA-3abgA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.13A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEW_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mewA-3aw5A:
13.2		 5mewA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHU_A_CUA501_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 399
HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.86A 5mhuA-1hfuA:
60.5		 5mhuA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 401
HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.66A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 456
HIS A 401
HIS A 136
HIS A 403
HIS A  94
 CU  A 701 (-3.3A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
 1.44A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A  92
HIS A 134
HIS A 394
HIS A 396
HIS A 459
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.15A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 394
HIS A 461
HIS A  92
HIS A  94
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.65A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 459
HIS A 394
HIS A 134
HIS A 396
HIS A  92
 C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
 1.47A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHU_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		6 / 6 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 399
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.65A 5mhuA-1hfuA:
60.5		 5mhuA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHU_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 6 HIS A 401
HIS A 451
HIS A  64
HIS A 111
 CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
 0.65A 5mhuA-1hfuA:
60.5		 5mhuA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		6 / 6 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 401
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
 0.33A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 6 HIS A  94
HIS A 136
HIS A 401
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
 0.79A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 6 HIS A 401
HIS A 403
HIS A 456
HIS A  94
HIS A 136
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
 0.75A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A  92
HIS A  94
HIS A 132
HIS A 394
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
 0.19A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A 394
HIS A 396
HIS A 459
HIS A  92
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.65A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 6 HIS A 394
HIS A 461
HIS A  92
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.78A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHU_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.79A 5mhuA-1hfuA:
60.5		 5mhuA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHU_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mhuA-1hfuA:
60.5		 5mhuA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHU_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mhuA-1hfuA:
60.5		 5mhuA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.33A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.29A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mhuA-3abgA:
31.0		 5mhuA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.11A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mhuA-3aw5A:
13.3		 5mhuA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHV_A_CUA501_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A 399
HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.86A 5mhvA-1hfuA:
60.5		 5mhvA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 401
HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.66A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA501_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A 456
HIS A 401
HIS A 136
HIS A 403
HIS A  94
 CU  A 701 (-3.3A)
CU  A 703 (-3.4A)
CU  A 701 (-3.2A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
 1.44A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A  92
HIS A 134
HIS A 394
HIS A 396
HIS A 459
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.16A 5mhvA-3aw5A:
31.6		 5mhvA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 394
HIS A 461
HIS A  92
HIS A  94
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.64A 5mhvA-3aw5A:
31.6		 5mhvA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA501_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 5 HIS A 459
HIS A 394
HIS A 134
HIS A 396
HIS A  92
 C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
 1.47A 5mhvA-3aw5A:
31.6		 5mhvA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHV_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		6 / 6 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 399
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.64A 5mhvA-1hfuA:
60.5		 5mhvA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHV_A_CUA502_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 6 HIS A 401
HIS A 451
HIS A  64
HIS A 111
 CU  A 702 (-3.2A)
CU  A 702 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 (-3.2A)
 0.65A 5mhvA-1hfuA:
60.5		 5mhvA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		6 / 6 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 401
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.4A)
CU  A 702 (-3.5A)
 0.33A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 6 HIS A  94
HIS A 136
HIS A 401
HIS A 456
 CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
 0.78A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA502_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 6 HIS A 401
HIS A 456
HIS A  94
HIS A 136
 CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 703 (-3.0A)
CU  A 701 (-3.2A)
 0.20A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A  92
HIS A  94
HIS A 132
HIS A 394
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
 0.18A 5mhvA-3aw5A:
31.5		 5mhvA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		5 / 6 HIS A 394
HIS A 396
HIS A 459
HIS A  92
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.66A 5mhvA-3aw5A:
31.5		 5mhvA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA502_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 6 HIS A 394
HIS A 461
HIS A  92
HIS A 132
 CU  A 703 ( 3.0A)
C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.3A)
 0.77A 5mhvA-3aw5A:
31.5		 5mhvA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHV_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.78A 5mhvA-1hfuA:
60.5		 5mhvA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHV_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mhvA-1hfuA:
60.5		 5mhvA-1hfuA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHV_A_CUA503_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mhvA-1hfuA:
60.5		 5mhvA-1hfuA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.33A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.29A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA503_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mhvA-3abgA:
31.0		 5mhvA-3abgA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.10A 5mhvA-3aw5A:
31.5		 5mhvA-3aw5A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHV_A_CUA503_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mhvA-3aw5A:
31.5		 5mhvA-3aw5A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHW_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.99A 5mhwA-1hfuA:
60.5		 5mhwA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHW_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mhwA-1hfuA:
60.5		 5mhwA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 403
HIS A 458
HIS A 401
HIS A 456
 CU  A 701 ( 3.1A)
CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
 1.02A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.72A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.18A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHW_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.21A 5mhwA-1hfuA:
60.5		 5mhwA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.35A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.18A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHW_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.77A 5mhwA-1hfuA:
60.5		 5mhwA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHW_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mhwA-1hfuA:
60.5		 5mhwA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHW_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mhwA-1hfuA:
60.5		 5mhwA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.33A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.30A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mhwA-3abgA:
30.9		 5mhwA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.10A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHW_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mhwA-3aw5A:
31.5		 5mhwA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHX_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.99A 5mhxA-1hfuA:
60.5		 5mhxA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHX_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.69A 5mhxA-1hfuA:
60.5		 5mhxA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.18A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHX_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.21A 5mhxA-1hfuA:
60.5		 5mhxA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.35A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHX_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.76A 5mhxA-1hfuA:
60.5		 5mhxA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHX_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mhxA-1hfuA:
60.5		 5mhxA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHX_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mhxA-1hfuA:
60.5		 5mhxA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.32A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.30A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mhxA-3abgA:
30.9		 5mhxA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.09A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mhxA-3aw5A:
13.2		 5mhxA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHY_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.00A 5mhyA-1hfuA:
60.5		 5mhyA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHY_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mhyA-1hfuA:
60.5		 5mhyA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.19A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHY_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.21A 5mhyA-1hfuA:
60.5		 5mhyA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.34A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHY_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.76A 5mhyA-1hfuA:
60.5		 5mhyA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHY_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mhyA-1hfuA:
60.5		 5mhyA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHY_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mhyA-1hfuA:
60.5		 5mhyA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.32A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.30A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mhyA-3abgA:
31.0		 5mhyA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.09A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mhyA-3aw5A:
13.2		 5mhyA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHZ_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5mhzA-1hfuA:
60.5		 5mhzA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHZ_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mhzA-1hfuA:
60.5		 5mhzA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.20A 5mhzA-3aw5A:
31.6		 5mhzA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mhzA-3aw5A:
31.6		 5mhzA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHZ_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.21A 5mhzA-1hfuA:
60.5		 5mhzA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.35A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mhzA-3aw5A:
31.5		 5mhzA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.73A 5mhzA-3aw5A:
31.5		 5mhzA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mhzA-3aw5A:
31.5		 5mhzA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHZ_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.76A 5mhzA-1hfuA:
60.5		 5mhzA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHZ_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mhzA-1hfuA:
60.5		 5mhzA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MHZ_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5mhzA-1hfuA:
60.5		 5mhzA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.32A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mhzA-3abgA:
31.0		 5mhzA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.09A 5mhzA-3aw5A:
31.5		 5mhzA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mhzA-3aw5A:
31.5		 5mhzA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI1_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.00A 5mi1A-1hfuA:
60.5		 5mi1A-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI1_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mi1A-1hfuA:
60.5		 5mi1A-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.20A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI1_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.20A 5mi1A-1hfuA:
60.5		 5mi1A-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.35A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI1_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.76A 5mi1A-1hfuA:
60.5		 5mi1A-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI1_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mi1A-1hfuA:
60.5		 5mi1A-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI1_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5mi1A-1hfuA:
60.5		 5mi1A-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.32A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.30A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mi1A-3abgA:
31.0		 5mi1A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.09A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mi1A-3aw5A:
13.2		 5mi1A-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI2_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5mi2A-1hfuA:
60.5		 5mi2A-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI2_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mi2A-1hfuA:
60.5		 5mi2A-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.20A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI2_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.20A 5mi2A-1hfuA:
60.5		 5mi2A-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.35A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI2_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.75A 5mi2A-1hfuA:
60.5		 5mi2A-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI2_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mi2A-1hfuA:
60.5		 5mi2A-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MI2_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5mi2A-1hfuA:
60.5		 5mi2A-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.31A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.30A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mi2A-3abgA:
31.0		 5mi2A-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.09A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mi2A-3aw5A:
13.2		 5mi2A-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIA_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5miaA-1hfuA:
60.5		 5miaA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIA_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5miaA-1hfuA:
60.5		 5miaA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.21A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.67A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIA_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.20A 5miaA-1hfuA:
60.5		 5miaA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.34A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIA_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.76A 5miaA-1hfuA:
60.5		 5miaA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIA_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.99A 5miaA-1hfuA:
60.5		 5miaA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIA_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5miaA-1hfuA:
60.5		 5miaA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.32A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.88A 5miaA-3abgA:
31.0		 5miaA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.09A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5miaA-3aw5A:
13.2		 5miaA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIB_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5mibA-1hfuA:
60.4		 5mibA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIB_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mibA-1hfuA:
60.4		 5mibA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.21A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIB_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.20A 5mibA-1hfuA:
60.4		 5mibA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.34A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIB_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.75A 5mibA-1hfuA:
60.4		 5mibA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIB_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mibA-1hfuA:
60.4		 5mibA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIB_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5mibA-1hfuA:
60.4		 5mibA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.31A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mibA-3abgA:
30.9		 5mibA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.08A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mibA-3aw5A:
13.2		 5mibA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIC_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5micA-1hfuA:
60.6		 5micA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIC_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5micA-1hfuA:
60.6		 5micA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.74A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.21A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIC_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.19A 5micA-1hfuA:
60.6		 5micA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.34A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.73A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.88A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIC_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.75A 5micA-1hfuA:
60.6		 5micA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIC_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.99A 5micA-1hfuA:
60.6		 5micA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIC_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5micA-1hfuA:
60.6		 5micA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.31A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5micA-3abgA:
30.9		 5micA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.08A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5micA-3aw5A:
13.1		 5micA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MID_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5midA-1hfuA:
60.5		 5midA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MID_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5midA-1hfuA:
60.5		 5midA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.31A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.21A 5midA-3aw5A:
10.2		 5midA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5midA-3aw5A:
10.2		 5midA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MID_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.19A 5midA-1hfuA:
60.5		 5midA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.34A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5midA-3aw5A:
13.2		 5midA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.72A 5midA-3aw5A:
13.2		 5midA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.88A 5midA-3aw5A:
13.2		 5midA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MID_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.75A 5midA-1hfuA:
60.5		 5midA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MID_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.99A 5midA-1hfuA:
60.5		 5midA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MID_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5midA-1hfuA:
60.5		 5midA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.31A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5midA-3abgA:
3.9		 5midA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.08A 5midA-3aw5A:
10.2		 5midA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5midA-3aw5A:
10.2		 5midA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIE_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 401
HIS A 453
HIS A 399
HIS A 451
 CU  A 702 (-3.2A)
CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 1.01A 5mieA-1hfuA:
60.5		 5mieA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIE_A_CUA601_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A  64
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 0.68A 5mieA-1hfuA:
60.5		 5mieA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A 401
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 0.32A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA601_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 458
HIS A  94
HIS A  96
HIS A 134
 CU  A 702 (-3.5A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-3.1A)
 0.73A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 134
HIS A 394
HIS A 396
HIS A 459
 C2O  A 702 (-3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
 0.21A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA601_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 461
HIS A  92
HIS A  94
HIS A 132
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
 0.68A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIE_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.19A 5mieA-1hfuA:
60.5		 5mieA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.34A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.19A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.73A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.88A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIE_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.75A 5mieA-1hfuA:
60.5		 5mieA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIE_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 1.00A 5mieA-1hfuA:
60.5		 5mieA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIE_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.06A 5mieA-1hfuA:
60.5		 5mieA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.31A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.89A 5mieA-3abgA:
31.0		 5mieA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.08A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5mieA-3aw5A:
10.5		 5mieA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIG_A_CUA602_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		5 / 5 HIS A  64
HIS A  66
TRP A 107
HIS A 109
HIS A 453
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 703 (-4.0A)
CU  A 703 (-3.2A)
CU  A 703 (-3.3A)
 0.17A 5migA-1hfuA:
60.6		 5migA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		5 / 5 HIS A  94
HIS A  96
TRP A 132
HIS A 134
HIS A 458
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 702 (-4.3A)
CU  A 702 (-3.1A)
CU  A 702 (-3.5A)
 0.35A 5migA-3abgA:
30.9		 5migA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA602_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 5 HIS A 458
HIS A 401
HIS A 456
HIS A 403
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
CU  A 701 ( 3.1A)
 0.85A 5migA-3abgA:
30.9		 5migA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A  92
HIS A  94
HIS A 132
HIS A 461
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
C2O  A 702 (-3.3A)
C2O  A 702 (-3.5A)
 0.20A 5migA-3aw5A:
13.1		 5migA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 394
HIS A 396
HIS A 459
HIS A 134
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
C2O  A 702 (-3.4A)
C2O  A 702 (-3.3A)
 0.73A 5migA-3aw5A:
13.1		 5migA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA602_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 461
HIS A 394
HIS A 459
HIS A 396
 C2O  A 702 (-3.5A)
CU  A 703 ( 3.0A)
C2O  A 702 (-3.4A)
C2O  A 702 ( 3.3A)
 0.87A 5migA-3aw5A:
13.1		 5migA-3aw5A:
26.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIG_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  64
HIS A  66
HIS A 399
HIS A 401
 CU  A 703 (-4.7A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 702 (-3.2A)
 0.76A 5migA-1hfuA:
60.6		 5migA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIG_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 109
HIS A  64
HIS A 399
HIS A 453
 CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
 0.99A 5migA-1hfuA:
60.6		 5migA-1hfuA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MIG_A_CUA603_0
(LACCASE 2)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 399
HIS A 453
HIS A 109
HIS A  64
 CU  A 702 ( 3.7A)
CU  A 703 (-3.3A)
CU  A 703 (-3.2A)
CU  A 703 (-4.7A)
 1.07A 5migA-1hfuA:
60.6		 5migA-1hfuA:
56.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A  94
HIS A  96
HIS A 401
HIS A 403
 CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
 0.31A 5migA-3abgA:
30.9		 5migA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 136
HIS A  94
HIS A 403
HIS A 456
 CU  A 701 (-3.2A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
CU  A 701 (-3.3A)
 1.31A 5migA-3abgA:
30.9		 5migA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA603_0
(LACCASE 2)		 3abg BILIRUBIN OXIDASE
(Albifimbria
verrucaria) 		4 / 4 HIS A 401
HIS A 403
HIS A  94
HIS A  96
 CU  A 703 (-3.4A)
CU  A 701 ( 3.1A)
CU  A 703 (-3.0A)
CU  A 702 ( 3.2A)
 0.88A 5migA-3abgA:
30.9		 5migA-3abgA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A  92
HIS A  94
HIS A 394
HIS A 396
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
 0.08A 5migA-3aw5A:
13.1		 5migA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA603_0
(LACCASE 2)		 3aw5 MULTICOPPER OXIDASE
(Pyrobaculum
aerophilum) 		4 / 4 HIS A 394
HIS A 396
HIS A  92
HIS A  94
 CU  A 703 ( 3.0A)
C2O  A 702 ( 3.3A)
CU  A 703 ( 3.0A)
C2O  A 702 ( 3.2A)
 0.79A 5migA-3aw5A:
13.1		 5migA-3aw5A:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 12 VAL A 189
PHE A  21
VAL A  20
ILE A  32
ALA A  28
 None
None
None
1PE  A 504 ( 4.7A)
NAD  A 703 ( 3.7A)
 0.91A 5n0sA-1s7gA:
undetectable		 5n0sA-1s7gA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0S_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 12 VAL A 189
PHE A  21
VAL A  20
ILE A  32
ALA A  28
 None
None
None
1PE  A 504 ( 4.7A)
NAD  A 703 ( 3.7A)
 0.92A 5n0sB-1s7gA:
0.6		 5n0sB-1s7gA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0T_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 12 VAL A 189
PHE A  21
VAL A  20
ILE A  32
ALA A  28
 None
None
None
1PE  A 504 ( 4.7A)
NAD  A 703 ( 3.7A)
 0.95A 5n0tA-1s7gA:
3.2		 5n0tA-1s7gA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 12 VAL A 189
PHE A  21
VAL A  20
ILE A  32
ALA A  28
 None
None
None
1PE  A 504 ( 4.7A)
NAD  A 703 ( 3.7A)
 0.95A 5n0wB-1s7gA:
3.5		 5n0wB-1s7gA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4I_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1s7g NAD-DEPENDENT
DEACETYLASE 2
(Archaeoglobus
fulgidus) 		5 / 12 VAL A 189
PHE A  21
VAL A  20
ILE A  32
ALA A  28
 None
None
None
1PE  A 504 ( 4.7A)
NAD  A 703 ( 3.7A)
 0.95A 5n4iA-1s7gA:
3.6		 5n4iA-1s7gA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		4 / 4 ASP A 404
HIS A 497
HIS A 560
HIS A 451
 ZN  A 703 (-2.7A)
ZN  A 703 ( 3.5A)
ZN  A 703 ( 3.3A)
D5M  A 701 (-4.1A)
 1.49A 5ncdD-5iheA:
undetectable		 5ncdD-5iheA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		4 / 4 ASP A 322
HIS A 271
HIS A 492
HIS A 366
 CA  A 703 (-2.1A)
CA  A 703 (-3.2A)
DJN  A 702 (-3.5A)
CA  A 703 ( 3.3A)
 1.31A 5ncdD-5wzrA:
3.9		 5ncdD-5wzrA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5ihe DNA POLYMERASE II
SMALL SUBUNIT
(Pyrococcus
abyssi) 		4 / 6 ASP A 404
HIS A 362
HIS A 562
HIS A 497
 ZN  A 703 (-2.7A)
FE  A 702 ( 3.4A)
FE  A 702 ( 3.4A)
ZN  A 703 ( 3.5A)
 1.04A 5nelB-5iheA:
undetectable
5nelC-5iheA:
undetectable		 5nelB-5iheA:
19.87
5nelC-5iheA:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.49A 5nooA-5t0lA:
41.0		 5nooA-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 7 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.48A 5nooB-5t0lA:
40.6		 5nooB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.54A 5nooB-5t0lA:
40.6		 5nooB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 6 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.48A 5nooC-5t0lA:
40.2		 5nooC-5t0lA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		3 / 3 HIS A 271
ASP A 322
HIS A 366
 CA  A 703 (-3.2A)
CA  A 703 (-2.1A)
CA  A 703 ( 3.3A)
 0.79A 5oexA-5wzrA:
2.0		 5oexA-5wzrA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.34A 5oexA-5gqfA:
undetectable		 5oexA-5gqfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		3 / 3 HIS A 271
ASP A 322
HIS A 366
 CA  A 703 (-3.2A)
CA  A 703 (-2.1A)
CA  A 703 ( 3.3A)
 0.79A 5oexB-5wzrA:
undetectable		 5oexB-5wzrA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.38A 5oexB-5gqfA:
undetectable		 5oexB-5gqfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.37A 5oexC-5gqfA:
undetectable		 5oexC-5gqfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bifidobacterium
bifidum) 		3 / 3 HIS A 271
ASP A 322
HIS A 366
 CA  A 703 (-3.2A)
CA  A 703 (-2.1A)
CA  A 703 ( 3.3A)
 0.76A 5oexD-5wzrA:
3.3		 5oexD-5wzrA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.33A 5oexD-5gqfA:
undetectable		 5oexD-5gqfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2bii NITRATE REDUCTASE
[NADPH]
(Ogataea
angusta) 		5 / 12 HIS A 233
SER A  67
THR A 136
PRO A  69
LEU A  74
 MTV  A1479 (-3.9A)
GOL  A 703 (-3.1A)
None
GOL  A 703 (-3.9A)
None
 1.11A 5ogcB-2biiA:
undetectable		 5ogcB-2biiA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 1sed HYPOTHETICAL PROTEIN
YHAI
(Bacillus
subtilis) 		4 / 7 LEU A  72
ALA A  76
ILE A  49
LEU A  53
 MPD  A 702 ( 4.8A)
MPD  A 703 (-4.4A)
None
None
 0.97A 5te8C-1sedA:
undetectable		 5te8C-1sedA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A 107
LEU A 181
ILE A 117
LEU A 139
LEU A 611
 None
None
None
None
ZPE  A 703 ( 4.9A)
 1.17A 5toaB-5lc8A:
2.8		 5toaB-5lc8A:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V1T_A_SAMA605_0
(RADICAL SAM)		 5hns NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 12 PHE A 513
LEU A 547
ASN A 557
VAL A 429
TYR A 420
 None
None
NAG  A 703 (-2.5A)
NAG  A 703 ( 4.7A)
None
 1.33A 5v1tA-5hnsA:
undetectable		 5v1tA-5hnsA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 4esq SERINE/THREONINE
PROTEIN KINASE
(Mycobacterium
tuberculosis) 		4 / 7 GLN A 520
GLY A 504
GLN A 483
ASP A 471
 None
None
None
TB  A 703 (-3.1A)
 1.17A 5vlmC-4esqA:
undetectable		 5vlmC-4esqA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.24A 5vv7A-1ovlB:
undetectable
5vv7B-1ovlB:
undetectable		 5vv7A-1ovlB:
19.51
5vv7B-1ovlB:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.22A 5vvnA-1ovlB:
undetectable
5vvnB-1ovlB:
undetectable		 5vvnA-1ovlB:
19.51
5vvnB-1ovlB:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		3 / 3 HIS A 190
GLU A 297
ASN A 234
 GLC  A 703 ( 4.0A)
None
None
 1.02A 5wbvA-5axhA:
undetectable		 5wbvA-5axhA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGQ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 5icq METHYLOCYSTIS PARVUS
OBBP MBNE
(Methylocystis
parvus) 		5 / 9 ALA A 341
GLU A 340
LEU A 424
ARG A 395
GLY A 429
 None
None
None
SO4  A 703 (-3.7A)
None
 1.39A 5wgqA-5icqA:
undetectable		 5wgqA-5icqA:
9.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 SER A 391
ILE A 393
LEU A 385
GLY A 382
GLY A 381
 SO4  A 709 (-3.9A)
None
None
None
ZN  A 703 ( 4.8A)
 0.90A 5wyqA-5cbmA:
2.3		 5wyqA-5cbmA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 SER A 391
ILE A 393
LEU A 385
GLY A 382
GLY A 381
 SO4  A 709 (-3.9A)
None
None
None
ZN  A 703 ( 4.8A)
 0.89A 5wyqB-5cbmA:
3.1		 5wyqB-5cbmA:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 606
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
None
CB3  A 703 (-3.6A)
 0.55A 5x5qB-5t0lA:
44.2		 5x5qB-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 516
GLY A 517
PHE A 520
MET A 606
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
None
CB3  A 703 (-3.8A)
 0.67A 5x5qB-5t0lA:
44.2		 5x5qB-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 7 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.40A 5x5qC-5t0lA:
42.1		 5x5qC-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5h05 AMYP
(marine
metagenome) 		4 / 8 ILE A 310
ASP A 303
GLY A 302
TYR A 351
 None
CA  A 703 (-3.4A)
None
None
 0.83A 5x5qD-5h05A:
undetectable		 5x5qD-5h05A:
18.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 8 LYS A 371
PHE A 374
ASP A 513
LEU A 516
TYR A 553
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
UMP  A 701 (-4.4A)
 1.27A 5x5qD-5t0lA:
42.6		 5x5qD-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.38A 5x5qD-5t0lA:
42.6		 5x5qD-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 5h05 AMYP
(marine
metagenome) 		4 / 8 ILE A 310
ASP A 303
GLY A 302
TYR A 351
 None
CA  A 703 (-3.4A)
None
None
 0.82A 5x5qF-5h05A:
undetectable		 5x5qF-5h05A:
18.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 8 ARG A 603
PHE A 374
ASP A 513
LEU A 516
GLY A 517
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
 1.06A 5x5qF-5t0lA:
42.4		 5x5qF-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.39A 5x5qF-5t0lA:
42.4		 5x5qF-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 PHE A 374
ILE A 402
ASP A 513
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.59A 5x66A-5t0lA:
44.4
5x66B-5t0lA:
20.0		 5x66A-5t0lA:
38.34
5x66B-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.67A 5x66A-5t0lA:
44.4
5x66B-5t0lA:
20.0		 5x66A-5t0lA:
38.34
5x66B-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 9 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 5x66C-5t0lA:
44.4		 5x66C-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 PHE A 374
ILE A 402
ASP A 513
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.46A 5x66D-5t0lA:
44.3		 5x66D-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 LYS A 371
PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
VAL A 610
 CB3  A 703 (-3.2A)
None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
None
 1.06A 5x66F-5t0lA:
44.5		 5x66F-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4pf1 PEPTIDASE
S15/COCE/NOND
(Thaumarchaeota
archaeon
SCGC
AB-539-E09) 		4 / 5 MET A 271
TYR A 162
GLY A 161
GLY A 156
 GOL  A 703 ( 4.2A)
GOL  A 703 (-4.3A)
None
None
 1.14A 5x7pA-4pf1A:
undetectable		 5x7pA-4pf1A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5i51 TRANSKETOLASE
(Scheffersomyces
stipitis) 		4 / 7 ASP A 183
ASP A 155
GLY A 156
ASN A  64
 None
CA  A 703 ( 3.2A)
TPP  A 701 (-3.5A)
None
 1.09A 5x7pA-5i51A:
undetectable		 5x7pA-5i51A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 5fg6 BROMODOMAIN-CONTAINI
NG PROTEIN 1
(Homo
sapiens) 		4 / 6 TYR A 621
LEU A 578
GLU A 628
LEU A 663
 None
None
EDO  A 703 (-3.1A)
EDO  A 703 ( 4.2A)
 1.16A 5xooA-5fg6A:
undetectable		 5xooA-5fg6A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		3 / 3 ARG A 460
PHE A 186
ARG A 456
 GLC  A 703 ( 4.6A)
GLC  A 703 (-4.8A)
GLC  A 703 ( 2.9A)
 1.25A 5y9yA-4hozA:
undetectable		 5y9yA-4hozA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 290
GLY A 296
LEU A 313
ASP A 338
CYH A 339
 SAH  A 703 (-4.0A)
None
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.73A 5yn6A-5wp4A:
9.3		 5yn6A-5wp4A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 GLY A 290
GLY A 296
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 SAH  A 703 (-4.0A)
None
SAH  A 703 (-2.6A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.79A 5yniA-5wp4A:
8.0		 5yniA-5wp4A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 295
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 None
SAH  A 703 (-2.6A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.99A 5yniA-5wp4A:
8.0		 5yniA-5wp4A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		6 / 12 GLY A 290
GLY A 296
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 SAH  A 703 (-4.0A)
None
SAH  A 703 (-2.6A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.82A 5ynmA-5wp4A:
7.5		 5ynmA-5wp4A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Arabidopsis
thaliana) 		5 / 12 GLY A 295
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 None
SAH  A 703 (-2.6A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 1.02A 5ynmA-5wp4A:
7.5		 5ynmA-5wp4A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YW0_A_ACTA410_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 4 GLY A 452
LEU A 454
VAL A 485
GLU A 489
 None
None
None
SAH  A 703 (-2.5A)
 1.39A 5yw0A-4s28A:
undetectable		 5yw0A-4s28A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		3 / 3 ALA A 136
VAL A  97
TYR A 163
 UPG  A 704 (-3.6A)
None
NAD  A 703 ( 4.6A)
 0.62A 5zmqH-1z45A:
undetectable		 5zmqH-1z45A:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_C_CUC604_0
(TYROSINASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A  66
HIS A 399
HIS A  64
HIS A 109
 CU  A 703 (-3.0A)
CU  A 702 ( 3.7A)
CU  A 703 (-4.7A)
CU  A 703 (-3.2A)
 1.08A 5zrdC-1hfuA:
undetectable		 5zrdC-1hfuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_C_CUC604_0
(TYROSINASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A 399
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 1.06A 5zrdC-1hfuA:
undetectable		 5zrdC-1hfuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_D_CUD607_0
(TYROSINASE)		 1hfu LACCASE 1
(Coprinopsis
cinerea) 		4 / 4 HIS A 453
HIS A 399
HIS A  66
HIS A 109
 CU  A 703 (-3.3A)
CU  A 702 ( 3.7A)
CU  A 703 (-3.0A)
CU  A 703 (-3.2A)
 1.07A 5zrdD-1hfuA:
undetectable		 5zrdD-1hfuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 175
GLY A 353
SER A  84
ASP A 195
ARG A 171
 None
MTE  A 703 (-3.6A)
None
None
None
 1.34A 5zvgA-4z3yA:
undetectable		 5zvgA-4z3yA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 175
GLY A 353
SER A  84
ASP A 195
ARG A 171
 None
MTE  A 703 (-3.6A)
None
None
None
 1.33A 5zvgB-4z3yA:
undetectable		 5zvgB-4z3yA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A4I_B_TRPB403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3x3y PHENYLETHYLAMINE
OXIDASE
(Arthrobacter
globiformis) 		4 / 7 ARG A 551
GLU A 253
THR A 554
PRO A 553
 None
None
GOL  A 703 (-4.6A)
None
 1.42A 6a4iB-3x3yA:
undetectable		 6a4iB-3x3yA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA607_0
(ALPHA-AMYLASE)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		4 / 4 ARG A 186
SER A 185
ASP A 352
ASN A 456
 None
MTE  A 703 (-3.0A)
MTE  A 703 (-3.7A)
None
 1.20A 6ag0A-4z3yA:
undetectable		 6ag0A-4z3yA:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 SER B 485
VAL B 487
TRP B 482
PHE B 479
 None
None
None
K  B 703 ( 4.8A)
 1.29A 6av6A-1ovlB:
undetectable
6av6B-1ovlB:
undetectable		 6av6A-1ovlB:
13.70
6av6B-1ovlB:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV6_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.25A 6av6C-1ovlB:
undetectable
6av6D-1ovlB:
undetectable		 6av6C-1ovlB:
13.70
6av6D-1ovlB:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)
(Homo
sapiens) 		4 / 7 SER B 485
VAL B 487
TRP B 482
PHE B 479
 None
None
None
K  B 703 ( 4.8A)
 1.26A 6av7A-1ovlB:
0.0
6av7B-1ovlB:
undetectable		 6av7A-1ovlB:
13.70
6av7B-1ovlB:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AZ3_1_PAR11802_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
UL4
RIBOSOMAL PROTEIN
UL15
RIBOSOMAL PROTEIN
EL15)		 5k8f ACETYL-COENZYME A
SYNTHETASE
(Cryptococcus
neoformans) 		3 / 3 ARG A 644
LYS A 297
ARG A 647
 None
ATP  A 703 (-2.8A)
None
 1.13A 6az3C-5k8fA:
undetectable
6az3L-5k8fA:
undetectable
6az3M-5k8fA:
undetectable		 6az3C-5k8fA:
8.17
6az3L-5k8fA:
7.33
6az3M-5k8fA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		4 / 7 ASP A 468
ALA A 428
GLU A 461
LEU A 342
 None
None
ZN  A 703 ( 2.5A)
None
 0.91A 6ci6A-5cbmA:
undetectable		 6ci6A-5cbmA:
9.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D8P_A_ACTA816_0
(UNCHARACTERIZED
PROTEIN)		 5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES
(Staphylococcus
aureus) 		3 / 3 ARG A 499
ARG A 602
ASP A 575
 None
C2E  A 703 (-3.0A)
C2E  A 703 (-3.5A)
 0.86A 6d8pA-5xt3A:
undetectable		 6d8pA-5xt3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens) 		4 / 5 GLY A 230
ASN A 229
ASP A 228
ARG A 199
 CA  A 703 ( 4.4A)
None
CA  A 703 (-2.3A)
None
 1.33A 6dwdB-1nugA:
undetectable
6dwdD-1nugA:
undetectable		 6dwdB-1nugA:
21.10
6dwdD-1nugA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		 5ya1 AUTOINDUCER-2 KINASE
(Escherichia
coli) 		5 / 12 LEU A 272
GLY A 429
GLY A 427
ILE A 449
LEU A 439
 HEZ  A 703 ( 4.3A)
ATP  A 701 ( 3.8A)
None
None
None
 1.02A 6ectA-5ya1A:
undetectable		 6ectA-5ya1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EF6_A_BEZA401_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 1ps9 2,4-DIENOYL-COA
REDUCTASE
(Escherichia
coli) 		5 / 9 SER A 595
ILE A 500
ARG A 562
PRO A 470
ILE A 472
 None
None
NAP  A 703 (-3.5A)
NAP  A 703 ( 4.3A)
None
 1.28A 6ef6A-1ps9A:
undetectable		 6ef6A-1ps9A:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 1np8 CALCIUM-DEPENDENT
PROTEASE, SMALL
SUBUNIT
(Rattus
norvegicus) 		4 / 6 PHE A  21
ALA A  25
SER A  32
THR A  72
 None
CD  A 703 (-4.4A)
CD  A 703 ( 4.8A)
CD  A 700 (-3.0A)
 0.85A 6f88A-1np8A:
undetectable		 6f88A-1np8A:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 LEU A 349
ALA A 308
THR A 506
ASN A 394
 None
None
K  A 703 ( 4.4A)
None
 0.89A 6f88A-5l9wA:
0.3		 6f88A-5l9wA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 LEU A 349
ALA A 308
THR A 506
ASN A 394
 None
None
K  A 703 ( 4.4A)
None
 0.92A 6f88B-5l9wA:
undetectable		 6f88B-5l9wA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  16
ASP A 128
VAL A 193
ASN A 217
PRO A 340
 CL  A5703 ( 3.9A)
GOL  A6500 (-3.2A)
None
None
K  A5600 ( 4.8A)
 0.78A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  16
GLY A  17
ASP A 128
ASN A 217
PRO A 340
 CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 (-3.2A)
None
K  A5600 ( 4.8A)
 0.88A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  17
ASP A 128
VAL A 193
ASN A 217
PRO A 340
 CL  A5703 (-4.7A)
GOL  A6500 (-3.2A)
None
None
K  A5600 ( 4.8A)
 0.59A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  17
VAL A 193
ASN A 217
PRO A 340
GLY A 342
 CL  A5703 (-4.7A)
None
None
K  A5600 ( 4.8A)
K  A5600 (-4.4A)
 1.03A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		6 / 12 GLU A   9
GLY A  16
ASP A 128
VAL A 193
ASN A 217
PRO A 340
 None
CL  A5703 ( 3.9A)
GOL  A6500 (-3.2A)
None
None
K  A5600 ( 4.8A)
 0.78A 6gneB-3l01A:
35.0		 6gneB-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		6 / 12 GLU A   9
GLY A  16
GLY A  17
ASP A 128
ASN A 217
PRO A 340
 None
CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 (-3.2A)
None
K  A5600 ( 4.8A)
 0.90A 6gneB-3l01A:
35.0		 6gneB-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		6 / 12 GLU A   9
GLY A  17
ASP A 128
VAL A 193
ASN A 217
PRO A 340
 None
CL  A5703 (-4.7A)
GOL  A6500 (-3.2A)
None
None
K  A5600 ( 4.8A)
 0.72A 6gneB-3l01A:
35.0		 6gneB-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  17
VAL A 193
ASN A 217
PRO A 340
GLY A 342
 CL  A5703 (-4.7A)
None
None
K  A5600 ( 4.8A)
K  A5600 (-4.4A)
 1.02A 6gneB-3l01A:
35.0		 6gneB-3l01A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_1
(-)		 5hqn SPHINGOMYELIN
PHOSPHODIESTERASE
(Mus
musculus) 		5 / 12 VAL A 314
ASN A 381
ARG A 287
PRO A 326
GLY A 324
 None
None
NAG  A 703 (-3.4A)
None
None
 1.22A 6gnfA-5hqnA:
undetectable		 6gnfA-5hqnA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_2
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 9 GLY A  16
GLY A  17
TYR A  89
TRP A 129
HIS A 151
 CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
 0.88A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_2
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 9 GLY A  16
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 CL  A5703 ( 3.9A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.79A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_2
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 9 GLY A  17
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.70A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 10 GLY A  17
LEU A  18
TYR A  89
TRP A 129
HIS A 151
 CL  A5703 (-4.7A)
GOL  A6500 ( 4.3A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
 0.85A 6gnfC-3l01A:
34.5		 6gnfC-3l01A:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)		 5hqn SPHINGOMYELIN
PHOSPHODIESTERASE
(Mus
musculus) 		5 / 12 VAL A 314
ASN A 381
ARG A 287
PRO A 326
GLY A 324
 None
None
NAG  A 703 (-3.4A)
None
None
 1.23A 6gnfC-5hqnA:
undetectable		 6gnfC-5hqnA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  16
LEU A  18
ASP A 128
HIS A 130
ASN A 217
 CL  A5703 ( 3.9A)
GOL  A6500 ( 4.3A)
GOL  A6500 (-3.2A)
GOL  A6502 ( 3.8A)
None
 0.99A 6gngA-3l01A:
34.6		 6gngA-3l01A:
26.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLY A  17
LEU A  18
ASP A 128
HIS A 130
ASN A 217
 CL  A5703 (-4.7A)
GOL  A6500 ( 4.3A)
GOL  A6500 (-3.2A)
GOL  A6502 ( 3.8A)
None
 0.93A 6gngA-3l01A:
34.6		 6gngA-3l01A:
26.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_2
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		6 / 12 GLU A   9
GLY A  17
TYR A  89
TRP A 129
HIS A 151
PRO A 340
 None
CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
K  A5600 ( 4.8A)
 0.85A 6gngA-3l01A:
34.6		 6gngA-3l01A:
26.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		6 / 12 GLU A   9
GLY A  16
GLY A  17
LEU A  18
HIS A 130
PRO A 340
 None
CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 ( 4.3A)
GOL  A6502 ( 3.8A)
K  A5600 ( 4.8A)
 0.84A 6gngB-3l01A:
34.5		 6gngB-3l01A:
26.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		5 / 12 GLU A   9
GLY A  17
LEU A  18
HIS A 130
PRO A 340
 None
CL  A5703 (-4.7A)
GOL  A6500 ( 4.3A)
GOL  A6502 ( 3.8A)
K  A5600 ( 4.8A)
 0.85A 6gngB-3l01A:
34.5		 6gngB-3l01A:
26.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_A_Y00A406_1
(BETA-1 ADRENERGIC
RECEPTOR)		 6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4
(Mus
musculus;
Mus
musculus) 		4 / 6 GLY M 311
LEU M 315
VAL L  69
PHE L 138
 None
None
None
CDL  L 703 (-4.9A)
 1.01A 6h7lA-6g2jM:
undetectable		 6h7lA-6g2jM:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_B_Y00B405_1
(BETA-1 ADRENERGIC
RECEPTOR)		 6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4
(Mus
musculus;
Mus
musculus) 		4 / 6 GLY M 311
LEU M 315
VAL L  69
PHE L 138
 None
None
None
CDL  L 703 (-4.9A)
 1.00A 6h7lB-6g2jM:
undetectable		 6h7lB-6g2jM:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 7 TRP A 230
HIS A  95
ARG A 239
ASP A 140
 None
None
GLC  A 703 (-2.9A)
None
 1.29A 6mn4E-4hozA:
undetectable		 6mn4E-4hozA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 7 GLY A  70
HIS A 368
ASN A  93
GLY A 104
 CA  A 701 ( 4.7A)
GLC  A 703 (-4.0A)
None
None
 0.91A 6n7fA-4hozA:
undetectable		 6n7fA-4hozA:
9.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4gua NON-STRUCTURAL
POLYPROTEIN
(Sindbis
virus) 		3 / 3 THR A1074
GLU A1563
ASN A1154
 SO4  A1703 (-4.3A)
None
SO4  A1703 (-3.7A)
 0.82A 6nj9K-4guaA:
5.7		 6nj9K-4guaA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		4 / 6 GLN A 378
PHE A 387
LEU A 366
PHE A 649
 None
PGE  A 703 (-4.4A)
EE4  A 701 ( 4.6A)
None
 1.05A 6nmpC-6c0tA:
2.1
6nmpJ-6c0tA:
undetectable		 6nmpC-6c0tA:
undetectable
6nmpJ-6c0tA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 1.10A 6qxsB-5t0lA:
37.5		 6qxsB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 12 ILE A 402
TRP A 403
LEU A 486
GLY A 517
ASN A 521
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.76A 6qxsB-5t0lA:
37.5		 6qxsB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.8A)
 0.76A 6qxsD-5t0lA:
37.5		 6qxsD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
ASN A 521
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.8A)
 0.73A 6qxsD-5t0lA:
37.5		 6qxsD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
HIS A 490
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.72A 6qyaB-5t0lA:
37.5		 6qyaB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 12 ILE A 402
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.97A 6qyaB-5t0lA:
37.5		 6qyaB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
TRP A 403
LEU A 486
HIS A 490
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 6qyaB-5t0lA:
37.5		 6qyaB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
LEU A 486
HIS A 490
LEU A 516
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.69A 6qyaD-5t0lA:
37.4		 6qyaD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 12 ILE A 402
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.98A 6qyaD-5t0lA:
37.4		 6qyaD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
HIS A 490
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.66A 6qyaD-5t0lA:
37.4		 6qyaD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 ILE A 192
ASN A 607
LEU A 116
LEU A 124
PHE A 132
 ZPE  A 703 ( 4.7A)
ZPE  A 703 ( 3.9A)
ZPE  A 703 ( 4.3A)
None
None
 1.31A 6r2eA-5lc8A:
undetectable		 6r2eA-5lc8A:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.92A 6r2eA-5t0lA:
45.1		 6r2eA-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.72A 6r2eA-5t0lA:
45.1		 6r2eA-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.70A 6r2eB-5t0lA:
44.8		 6r2eB-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.73A 6r2eC-5t0lA:
45.1		 6r2eC-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.70A 6r2eD-5t0lA:
44.9		 6r2eD-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 PHE A 374
ILE A 402
ASN A 406
LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.90A 6r2eE-5t0lA:
45.1		 6r2eE-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
TYR A 429
LEU A 486
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
None
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.65A 6r2eE-5t0lA:
45.1		 6r2eE-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.71A 6r2eF-5t0lA:
45.0		 6r2eF-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 5lc8 ARACHIDONATE
15-LIPOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 11 ILE A 192
ASN A 607
LEU A 116
LEU A 124
PHE A 132
 ZPE  A 703 ( 4.7A)
ZPE  A 703 ( 3.9A)
ZPE  A 703 ( 4.3A)
None
None
 1.32A 6r2eG-5lc8A:
undetectable		 6r2eG-5lc8A:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 11 PHE A 374
ILE A 402
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.94A 6r2eG-5t0lA:
45.2		 6r2eG-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.72A 6r2eG-5t0lA:
45.2		 6r2eG-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		12 / 12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
TYR A 429
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
None
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.81A 6r2eH-5t0lA:
45.1		 6r2eH-5t0lA:
38.34