SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '152'


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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 5 HIS A 203
SER A 410
LEU A 381
GLY A 333
 None
None
None
BEZ  A1529 (-3.6A)
 0.87A 1a4lB-2v7bA:
undetectable		 1a4lB-2v7bA:
22.30
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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 8 HIS A  70
HIS A  45
HIS A  79
HIS A 125
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.0A)
ZN  A 152 (-3.1A)
CU  A 153 (-3.2A)
 0.97A 1bzmA-1oalA:
undetectable		 1bzmA-1oalA:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 PHE A  16
ALA A  33
LYS A  40
THR A  53
ARG A  58
TRP A 106
 None
None
None
None
SO4  A 152 (-3.1A)
None
 0.80A 1crbA-2rcqA:
21.2		 1crbA-2rcqA:
53.57
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.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  14
VAL A 108
VAL A  78
HIS A  79
LEU A  74
 None
None
None
None
JLN  A1528 (-4.1A)
 1.07A 1db1A-4a1oA:
undetectable		 1db1A-4a1oA:
18.25
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.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 5 ARG A 494
ALA A 439
ASP A 492
GLY A 441
 None
EDO  A1533 (-3.8A)
None
EDO  A1526 (-3.7A)
 0.84A 1e7cA-4c1sA:
undetectable		 1e7cA-4c1sA:
18.93
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.
1EE2_B_CHDB1250_0
(ALCOHOL
DEHYDROGENASE)		 2qve TYROSINE AMINOMUTASE
(Streptomyces
globisporus) 		3 / 3 MET A 447
LEU A 150
SER A 149
 None
None
MDO  A 152 ( 4.0A)
 0.66A 1ee2A-2qveA:
undetectable		 1ee2A-2qveA:
22.56
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.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		4 / 8 PHE A  93
TYR A 229
HIS A 202
VAL A 126
 None
None
FAD  A1524 (-3.5A)
None
 0.80A 1fslA-2c3dA:
undetectable		 1fslA-2c3dA:
15.41
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.
1FSL_B_NIOB145_1
(LEGHEMOGLOBIN A)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		4 / 8 PHE A  93
TYR A 229
HIS A 202
VAL A 126
 None
None
FAD  A1524 (-3.5A)
None
 0.73A 1fslB-2c3dA:
undetectable		 1fslB-2c3dA:
15.41
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 7 MET B  88
SER B 341
SER B 343
ILE B 344
 IMP  B1527 (-4.0A)
None
IMP  B1527 (-2.6A)
None
 1.07A 1fxhA-4af0B:
undetectable
1fxhB-4af0B:
undetectable		 1fxhA-4af0B:
17.13
1fxhB-4af0B:
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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE
(Bacteroides
thetaiotaomicron) 		5 / 11 ILE A 232
SER A 203
GLY A 201
GLY A 199
ASP A 266
 EDO  A1527 (-3.9A)
None
None
None
None
 1.27A 1ho5A-4c1sA:
undetectable		 1ho5A-4c1sA:
20.78
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 10 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.74A 1hsgA-1wsvA:
undetectable		 1hsgA-1wsvA:
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.78A 1hxbB-1wsvA:
undetectable		 1hxbB-1wsvA:
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.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 6 TRP A 102
LEU A  98
LEU A  38
PRO A  39
 152  A5001 (-4.7A)
None
None
None
 1.34A 1hz4A-1ndfA:
undetectable		 1hz4A-1ndfA:
19.70
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 3kv0 HET-C2
(Podospora
anserina) 		4 / 6 HIS A 147
LEU A 143
PHE A 155
VAL A 151
 None
MLY  A 144 ( 4.3A)
None
MLY  A 152 ( 3.2A)
 1.00A 1ibgH-3kv0A:
undetectable		 1ibgH-3kv0A:
17.17
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 8 GLY B 358
GLY B 340
ARG B 355
GLY B 338
 None
MOA  B1526 (-4.0A)
None
None
 0.77A 1jhaA-4af0B:
undetectable		 1jhaA-4af0B:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 11 ASP B 288
ASN B 317
ARG B 336
MET B 339
GLY B 340
CYH B 345
GLY B 427
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-3.2A)
 1.19A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		10 / 11 ASP B 288
SER B 289
SER B 290
ASN B 317
ARG B 336
MET B 339
GLY B 340
CYH B 345
GLY B 429
GLN B 470
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
MOA  B1526 ( 3.7A)
 0.62A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		6 / 11 SER B 290
ASN B 317
MET B 339
GLY B 340
GLY B 471
GLN B 470
 MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.1A)
MOA  B1526 ( 3.7A)
 1.17A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 11 SER B 290
SER B 289
GLY B 265
THR B 266
GLN B 297
 MOA  B1526 (-2.6A)
MOA  B1526 (-3.9A)
None
None
None
 1.33A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 8 ASP B 288
ASN B 317
ARG B 336
GLY B 340
GLY B 427
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.2A)
 1.06A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 8 ASP B 288
ASN B 317
ARG B 336
GLY B 342
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
 1.10A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 ASP B 288
SER B 290
ASN B 317
ARG B 336
GLY B 340
GLY B 429
GLN B 470
 MOA  B1526 (-3.3A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 ( 3.3A)
MOA  B1526 ( 3.7A)
 0.27A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		5 / 12 PHE A  16
LYS A  40
SER A  55
ARG A  58
LEU A 117
 None
None
None
SO4  A 152 (-3.1A)
None
 1.17A 1kglA-2rcqA:
23.3		 1kglA-2rcqA:
54.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		9 / 12 PHE A  16
MET A  20
GLN A  38
LYS A  40
THR A  51
THR A  53
ARG A  58
VAL A  62
LEU A 117
 None
None
None
None
None
None
SO4  A 152 (-3.1A)
None
None
 0.80A 1kqwA-2rcqA:
25.8		 1kqwA-2rcqA:
72.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		8 / 12 PHE A  16
MET A  20
GLN A  38
THR A  51
ARG A  58
VAL A  62
LEU A  77
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
None
None
 0.96A 1kqwA-2rcqA:
25.8		 1kqwA-2rcqA:
72.46
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.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3u1d UNCHARACTERIZED
PROTEIN
(Halomicrobium
mukohataei) 		4 / 7 LEU A  29
MET A 121
TYR A 118
LEU A  36
 None
None
None
PEG  A 152 (-4.8A)
 1.01A 1kt3A-3u1dA:
undetectable		 1kt3A-3u1dA:
22.51
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.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 5a30 MITOCHONDRIAL
PROTEIN
(Gallus
gallus) 		5 / 11 LEU A 300
LEU A 306
ALA A 327
VAL A 307
ARG A 272
 None
None
AGS  A1529 (-3.7A)
None
None
 1.42A 1kt6A-5a30A:
undetectable		 1kt6A-5a30A:
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.
1KT7_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 5a30 MITOCHONDRIAL
PROTEIN
(Gallus
gallus) 		5 / 11 LEU A 300
LEU A 306
ALA A 327
VAL A 307
ARG A 272
 None
None
AGS  A1529 (-3.7A)
None
None
 1.37A 1kt7A-5a30A:
undetectable		 1kt7A-5a30A:
16.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 ASP B 288
SER B 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
 0.46A 1me7A-4af0B:
47.8		 1me7A-4af0B:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		6 / 10 ASP B 288
SER B 289
SER B 290
ASN B 317
GLY B 340
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 ( 3.3A)
 0.32A 1mehA-4af0B:
47.2		 1mehA-4af0B:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 8 ASP B 288
SER B 289
SER B 290
ASN B 317
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
IMP  B1527 ( 3.3A)
 0.32A 1meiA-4af0B:
48.1		 1meiA-4af0B:
33.74
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		 4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLU A 512
ALA A 509
ALA A 443
PHE A 445
GLY A 441
 None
None
EDO  A1526 (-3.7A)
None
EDO  A1526 (-3.7A)
 1.14A 1mjqG-4c1sA:
undetectable
1mjqH-4c1sA:
undetectable		 1mjqG-4c1sA:
15.24
1mjqH-4c1sA:
15.24
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.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 2f06 CONSERVED
HYPOTHETICAL PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A  83
VAL A  86
LEU A  90
 HIS  A 152 (-3.7A)
None
None
 0.53A 1mz9B-2f06A:
undetectable		 1mz9B-2f06A:
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.
1MZ9_D_VDYD1001_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		3 / 3 THR A 450
LEU A 451
VAL A 481
 None
ADP  A1528 (-4.2A)
ADP  A1528 (-3.8A)
 0.66A 1mz9E-1q3sA:
undetectable		 1mz9E-1q3sA:
7.66
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 131
THR A 130
TRP A 393
GLY A 117
TYR A 139
 EDO  A1524 (-4.4A)
EDO  A1524 (-3.7A)
None
None
None
 1.26A 1nbiC-4akoA:
undetectable		 1nbiC-4akoA:
21.61
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.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 131
THR A 130
TRP A 393
GLY A 117
TYR A 139
 EDO  A1524 (-4.4A)
EDO  A1524 (-3.7A)
None
None
None
 1.25A 1nbiD-4akoA:
undetectable		 1nbiD-4akoA:
21.61
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		6 / 12 THR A  99
ILE A 479
GLY A 411
ILE A 447
GLU A 483
PRO A  45
 ADP  A1528 (-3.7A)
None
ADP  A1528 (-3.4A)
ADP  A1528 ( 4.7A)
None
ADP  A1528 (-4.1A)
 1.23A 1nv8B-1q3sA:
undetectable		 1nv8B-1q3sA:
22.35
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.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 9 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.85A 1ohrB-1wsvA:
undetectable		 1ohrB-1wsvA:
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.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ASP A  38
THR A  40
GLU A 356
 CA  A1521 ( 2.8A)
None
None
 0.81A 1pj7A-5g2vA:
undetectable		 1pj7A-5g2vA:
20.17
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.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 VAL A  88
ALA A  89
HIS A 327
 None
None
152  A 613 (-4.3A)
 0.60A 1q23C-1xl8A:
9.9		 1q23C-1xl8A:
16.07
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.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 VAL A  88
ALA A  89
HIS A 327
 None
None
152  A 613 (-4.3A)
 0.70A 1q23H-1xl8A:
10.0		 1q23H-1xl8A:
16.07
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.
1Q23_I_FUAI707_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 VAL A  88
ALA A  89
HIS A 327
 None
None
152  A 613 (-4.3A)
 0.59A 1q23G-1xl8A:
9.8		 1q23G-1xl8A:
16.07
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.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 VAL A  88
ALA A  89
HIS A 327
 None
None
152  A 613 (-4.3A)
 0.62A 1q23L-1xl8A:
9.5		 1q23L-1xl8A:
16.07
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.
1Q23_L_FUAL710_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 VAL A  88
ALA A  89
HIS A 327
 None
None
152  A 613 (-4.3A)
 0.68A 1q23J-1xl8A:
9.6		 1q23J-1xl8A:
16.07
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.
1QAB_E_RTLE1_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 2c0k HEMOGLOBIN
(Gasterophilus
intestinalis) 		5 / 11 LEU A  67
ALA A  23
VAL A  70
MET A  27
LEU A 110
 None
None
None
None
HEM  A1152 ( 4.6A)
 1.47A 1qabE-2c0kA:
undetectable		 1qabE-2c0kA:
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.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.49A 1rjoA-1oalA:
undetectable		 1rjoA-1oalA:
14.67
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.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.56A 1rjoA-1sxzA:
undetectable		 1rjoA-1sxzA:
14.21
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.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.49A 1rjoA-1xsoA:
undetectable		 1rjoA-1xsoA:
14.45
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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.49A 1rkyA-1oalA:
undetectable		 1rkyA-1oalA:
12.15
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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.60A 1rkyA-1sxzA:
undetectable		 1rkyA-1sxzA:
12.40
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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.52A 1rkyA-1xsoA:
undetectable		 1rkyA-1xsoA:
11.76
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.
1RQP_A_SAMA500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
(Prochlorococcus
marinus) 		4 / 7 ASP D 417
PHE D 179
SER D 403
ARG D 401
 EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
 1.37A 1rqpB-2ynmD:
undetectable		 1rqpB-2ynmD:
20.22
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.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		5 / 12 THR A  99
ILE A 479
GLY A 411
GLU A 483
PRO A  45
 ADP  A1528 (-3.7A)
None
ADP  A1528 (-3.4A)
None
ADP  A1528 (-4.1A)
 1.00A 1sg9B-1q3sA:
undetectable		 1sg9B-1q3sA:
22.35
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 11 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.73A 1t3rB-1wsvA:
undetectable		 1t3rB-1wsvA:
14.13
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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 152
LEU A  28
ALA A  38
LEU A  75
GLN A  34
 LEU  A 152 ( 0.6A)
LEU  A  28 ( 0.6A)
ALA  A  38 ( 0.0A)
LEU  A  75 ( 0.6A)
GLN  A  34 ( 0.6A)
 1.25A 1tbfA-4rhyA:
undetectable		 1tbfA-4rhyA:
20.47
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 5 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.94A 1tt6B-2eyqA:
undetectable		 1tt6B-2eyqA:
8.05
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.04A 1tz8C-2eyqA:
undetectable
1tz8D-2eyqA:
undetectable		 1tz8C-2eyqA:
8.05
1tz8D-2eyqA:
8.05
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3f4a UNCHARACTERIZED
PROTEIN YGR203W
(Saccharomyces
cerevisiae) 		4 / 8 TRP A  20
THR A  27
TRP A 119
LEU A  29
 SO4  A 152 (-4.2A)
SO4  A 152 (-4.2A)
None
None
 1.38A 1uw6A-3f4aA:
undetectable
1uw6B-3f4aA:
undetectable		 1uw6A-3f4aA:
21.17
1uw6B-3f4aA:
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.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 1v54A-1oalA:
undetectable		 1v54A-1oalA:
18.60
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.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 1v54A-1sxzA:
undetectable		 1v54A-1sxzA:
13.23
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.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 1v54A-1xsoA:
undetectable		 1v54A-1xsoA:
14.19
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.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 1v54N-1oalA:
undetectable		 1v54N-1oalA:
18.60
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.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 1v54N-1sxzA:
undetectable		 1v54N-1sxzA:
13.23
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.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 1v54N-1xsoA:
undetectable		 1v54N-1xsoA:
14.19
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.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 1v55A-1oalA:
undetectable		 1v55A-1oalA:
18.60
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.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 1v55A-1sxzA:
undetectable		 1v55A-1sxzA:
13.23
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.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 1v55A-1xsoA:
undetectable		 1v55A-1xsoA:
14.19
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.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.68A 1v55N-1oalA:
undetectable		 1v55N-1oalA:
18.60
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.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.64A 1v55N-1sxzA:
undetectable		 1v55N-1sxzA:
13.23
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.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 1v55N-1xsoA:
undetectable		 1v55N-1xsoA:
14.19
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.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.99A 1v55C-1ndfA:
1.3
1v55N-1ndfA:
0.0
1v55P-1ndfA:
1.4		 1v55C-1ndfA:
17.22
1v55N-1ndfA:
20.15
1v55P-1ndfA:
17.22
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.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		6 / 12 THR A  99
ILE A 479
GLY A 411
ILE A 447
GLU A 483
PRO A  45
 ADP  A1528 (-3.7A)
None
ADP  A1528 (-3.4A)
ADP  A1528 ( 4.7A)
None
ADP  A1528 (-4.1A)
 1.18A 1vq1B-1q3sA:
undetectable		 1vq1B-1q3sA:
22.55
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.
1W2Z_A_CUA701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.49A 1w2zA-1oalA:
undetectable		 1w2zA-1oalA:
12.35
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.
1W2Z_A_CUA701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.57A 1w2zA-1sxzA:
undetectable		 1w2zA-1sxzA:
13.99
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.
1W2Z_A_CUA701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.51A 1w2zA-1xsoA:
undetectable		 1w2zA-1xsoA:
14.02
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.44A 1w2zB-1oalA:
undetectable		 1w2zB-1oalA:
12.35
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.54A 1w2zB-1sxzA:
undetectable		 1w2zB-1sxzA:
13.99
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.49A 1w2zB-1xsoA:
undetectable		 1w2zB-1xsoA:
14.02
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.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.45A 1w2zC-1oalA:
undetectable		 1w2zC-1oalA:
12.35
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.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.54A 1w2zC-1sxzA:
undetectable		 1w2zC-1sxzA:
13.99
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.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.49A 1w2zC-1xsoA:
undetectable		 1w2zC-1xsoA:
14.02
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.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.45A 1w2zD-1oalA:
undetectable		 1w2zD-1oalA:
12.35
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.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.55A 1w2zD-1sxzA:
undetectable		 1w2zD-1sxzA:
13.99
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.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.49A 1w2zD-1xsoA:
undetectable		 1w2zD-1xsoA:
14.02
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		3 / 3 ASP A 380
GLU A 155
TYR A 239
 CA  A1525 ( 3.4A)
None
None
 0.81A 1wsvA-2yeqA:
undetectable		 1wsvA-2yeqA:
21.26
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		5 / 11 GLY A  55
GLY A  51
SER A 144
LEU A 148
ALA A  60
 None
FAD  A1524 ( 4.8A)
None
None
None
 0.98A 1x7pA-2c3dA:
3.9
1x7pB-2c3dA:
4.5		 1x7pA-2c3dA:
20.04
1x7pB-2c3dA:
20.04
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		3 / 3 MET B 351
ASN B 317
GLN B 323
 MOA  B1526 ( 4.7A)
MOA  B1526 ( 3.6A)
None
 1.01A 1xoqB-4af0B:
undetectable		 1xoqB-4af0B:
23.39
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.
1XZ1_A_HLTA2001_1
(FERRITIN LIGHT CHAIN)		 2hx5 HYPOTHETICAL PROTEIN
(Prochlorococcus
marinus) 		4 / 4 LEU A  41
SER A  40
TYR A  44
LEU A  46
 ETX  A 152 ( 4.1A)
None
None
ETX  A 152 ( 4.7A)
 1.12A 1xz1A-2hx5A:
undetectable		 1xz1A-2hx5A:
22.63
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		 2hx5 HYPOTHETICAL PROTEIN
(Prochlorococcus
marinus) 		4 / 4 LEU A  41
SER A  40
TYR A  44
LEU A  46
 ETX  A 152 ( 4.1A)
None
None
ETX  A 152 ( 4.7A)
 1.12A 1xz3A-2hx5A:
undetectable		 1xz3A-2hx5A:
22.63
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.
1Y7I_A_SALA502_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Methanocaldococc
us
jannaschii) 		3 / 3 LEU A 195
HIS A  75
LYS A  88
 None
ATP  A1527 (-4.1A)
None
 1.12A 1y7iA-2z02A:
undetectable		 1y7iA-2z02A:
20.91
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 11 LEU A 152
ILE A 219
HIS A  14
PHE A  13
GLY A 229
 LEU  A 152 ( 0.6A)
ILE  A 219 ( 0.7A)
HIS  A  14 ( 1.0A)
PHE  A  13 ( 1.3A)
GLY  A 229 ( 0.0A)
 0.99A 1zz1A-1wsvA:
undetectable		 1zz1A-1wsvA:
22.11
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
ILE A 219
HIS A  14
PHE A  13
GLY A 229
 LEU  A 152 ( 0.6A)
ILE  A 219 ( 0.7A)
HIS  A  14 ( 1.0A)
PHE  A  13 ( 1.3A)
GLY  A 229 ( 0.0A)
 0.97A 1zz1C-1wsvA:
undetectable		 1zz1C-1wsvA:
22.11
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 TRP A  85
THR A 441
TYR A 439
 152  A 613 (-4.7A)
152  A 613 (-2.8A)
152  A 613 (-4.3A)
 1.23A 2a3aA-1xl8A:
undetectable		 2a3aA-1xl8A:
20.57
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.
2A3A_B_TEPB2434_1
(CHITINASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 TRP A  85
THR A 441
TYR A 439
 152  A 613 (-4.7A)
152  A 613 (-2.8A)
152  A 613 (-4.3A)
 1.23A 2a3aB-1xl8A:
undetectable		 2a3aB-1xl8A:
20.57
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.
2A3B_A_CFFA1434_1
(CHITINASE)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		3 / 3 TRP A  85
THR A 441
TYR A 439
 152  A 613 (-4.7A)
152  A 613 (-2.8A)
152  A 613 (-4.3A)
 1.23A 2a3bA-1xl8A:
undetectable		 2a3bA-1xl8A:
20.57
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 GLY A 432
GLU A 428
SER A 430
HIS A 434
 None
None
None
HEM  A1523 (-3.2A)
 1.10A 2ackA-1oahA:
undetectable		 2ackA-1oahA:
21.92
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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens) 		4 / 5 GLY A 191
PRO A 152
ALA A 155
ILE A 159
 GLY  A 191 ( 0.0A)
PRO  A 152 ( 1.1A)
ALA  A 155 ( 0.0A)
ILE  A 159 ( 0.7A)
 0.88A 2aofA-5jjaA:
undetectable		 2aofA-5jjaA:
16.72
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2wzg GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		5 / 12 GLU A 445
GLY A 449
ASN A 224
ALA A 452
ALA A 456
 None
UPG  A1525 ( 3.7A)
None
None
None
 1.20A 2br4B-2wzgA:
undetectable		 2br4B-2wzgA:
17.62
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  89
SER A  85
ARG A 152
GLU A  81
 GLY  A  89 (-0.0A)
SER  A  85 ( 0.0A)
ARG  A 152 ( 0.6A)
GLU  A  81 ( 0.6A)
 0.93A 2c8aB-4c9gA:
undetectable		 2c8aB-4c9gA:
20.49
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.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  89
SER A  85
ARG A 152
GLU A  81
 GLY  A  89 (-0.0A)
SER  A  85 ( 0.0A)
ARG  A 152 ( 0.6A)
GLU  A  81 ( 0.6A)
 0.99A 2c8aD-4c9gA:
undetectable		 2c8aD-4c9gA:
20.49
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.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 8 ILE A  46
ASP A  91
LEU A 112
GLU A 116
 None
ZN  A 152 (-2.2A)
None
None
 0.96A 2cdqA-1oalA:
undetectable		 2cdqA-1oalA:
15.73
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.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 TYR B 425
VAL B  91
SER B  86
GLY B 342
ILE B 344
 IMP  B1527 (-4.6A)
None
IMP  B1527 (-2.6A)
IMP  B1527 (-3.3A)
None
 1.41A 2dcfA-4af0B:
undetectable		 2dcfA-4af0B:
22.74
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.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 2dyrA-1oalA:
undetectable		 2dyrA-1oalA:
18.60
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.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 2dyrA-1sxzA:
undetectable		 2dyrA-1sxzA:
13.23
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.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 2dyrA-1xsoA:
undetectable		 2dyrA-1xsoA:
14.19
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.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 2dyrN-1oalA:
undetectable		 2dyrN-1oalA:
18.60
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.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 2dyrN-1sxzA:
undetectable		 2dyrN-1sxzA:
13.23
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.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 2dyrN-1xsoA:
undetectable		 2dyrN-1xsoA:
14.19
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.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.60A 2dysA-1oalA:
undetectable		 2dysA-1oalA:
18.60
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.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.56A 2dysA-1sxzA:
undetectable		 2dysA-1sxzA:
13.23
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.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.40A 2dysA-1xsoA:
undetectable		 2dysA-1xsoA:
14.19
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.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.60A 2dysN-1oalA:
undetectable		 2dysN-1oalA:
18.60
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.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.53A 2dysN-1sxzA:
undetectable		 2dysN-1sxzA:
13.23
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.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.38A 2dysN-1xsoA:
undetectable		 2dysN-1xsoA:
14.19
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.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 2eijA-1oalA:
undetectable		 2eijA-1oalA:
18.60
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.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 2eijA-1sxzA:
undetectable		 2eijA-1sxzA:
13.23
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.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 2eijA-1xsoA:
undetectable		 2eijA-1xsoA:
14.19
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.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 2eijN-1oalA:
undetectable		 2eijN-1oalA:
18.60
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.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 2eijN-1sxzA:
undetectable		 2eijN-1sxzA:
13.23
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.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 2eijN-1xsoA:
undetectable		 2eijN-1xsoA:
14.19
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.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.62A 2eikA-1oalA:
undetectable		 2eikA-1oalA:
18.60
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.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 2eikA-1sxzA:
undetectable		 2eikA-1sxzA:
13.23
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.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.43A 2eikA-1xsoA:
undetectable		 2eikA-1xsoA:
14.19
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.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 2eikN-1oalA:
undetectable		 2eikN-1oalA:
18.60
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.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 2eikN-1sxzA:
undetectable		 2eikN-1sxzA:
13.23
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.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 2eikN-1xsoA:
undetectable		 2eikN-1xsoA:
14.19
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.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.61A 2eilA-1oalA:
undetectable		 2eilA-1oalA:
18.60
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.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.57A 2eilA-1sxzA:
undetectable		 2eilA-1sxzA:
13.23
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.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.42A 2eilA-1xsoA:
undetectable		 2eilA-1xsoA:
14.19
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.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 2eilN-1oalA:
undetectable		 2eilN-1oalA:
18.60
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.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 2eilN-1sxzA:
undetectable		 2eilN-1sxzA:
13.23
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.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 2eilN-1xsoA:
undetectable		 2eilN-1xsoA:
14.19
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.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.69A 2eimA-1oalA:
undetectable		 2eimA-1oalA:
18.60
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.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.66A 2eimA-1sxzA:
undetectable		 2eimA-1sxzA:
13.23
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.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.52A 2eimA-1xsoA:
undetectable		 2eimA-1xsoA:
14.19
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.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 2eimN-1oalA:
undetectable		 2eimN-1oalA:
18.60
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.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 2eimN-1sxzA:
undetectable		 2eimN-1sxzA:
13.23
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.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 2eimN-1xsoA:
undetectable		 2eimN-1xsoA:
14.19
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.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.55A 2einA-1oalA:
undetectable		 2einA-1oalA:
18.60
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.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.48A 2einA-1sxzA:
undetectable		 2einA-1sxzA:
13.23
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.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.33A 2einA-1xsoA:
undetectable		 2einA-1xsoA:
14.19
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.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 2einN-1oalA:
undetectable		 2einN-1oalA:
18.60
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.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 2einN-1sxzA:
undetectable		 2einN-1sxzA:
13.23
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.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 2einN-1xsoA:
undetectable		 2einN-1xsoA:
14.19
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.
2F80_B_017B301_1
(POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.91A 2f80A-1wsvA:
undetectable		 2f80A-1wsvA:
14.13
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.
2F80_B_017B301_2
(POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.78A 2f80B-1wsvA:
undetectable		 2f80B-1wsvA:
14.13
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.89A 2f81A-1wsvA:
undetectable		 2f81A-1wsvA:
14.67
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.
2F81_A_017A302_2
(POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.88A 2f81B-1wsvA:
undetectable		 2f81B-1wsvA:
14.67
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.88A 2f8gA-1wsvA:
undetectable		 2f8gA-1wsvA:
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		5 / 12 LEU A 133
GLY A 138
ILE A 152
VAL A 131
ILE A 168
 LEU  A 133 ( 0.6A)
GLY  A 138 ( 0.0A)
ILE  A 152 ( 0.7A)
VAL  A 131 ( 0.6A)
ILE  A 168 ( 0.6A)
 0.92A 2f8gB-1fxjA:
undetectable		 2f8gB-1fxjA:
16.11
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.80A 2f8gB-1wsvA:
undetectable		 2f8gB-1wsvA:
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 11 GLY B 379
SER B 343
ASN B  51
GLY B 382
HIS B 386
 IMP  B1527 (-3.5A)
IMP  B1527 (-2.6A)
None
None
None
 1.28A 2hmaA-4af0B:
undetectable		 2hmaA-4af0B:
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.
2IEN_B_017B402_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.89A 2ienA-1wsvA:
undetectable		 2ienA-1wsvA:
14.93
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.
2IEN_B_017B402_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.87A 2ienB-1wsvA:
undetectable		 2ienB-1wsvA:
14.93
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		5 / 12 PHE A 239
ALA A 452
SER A 448
ALA A 456
GLY A 451
 None
None
BGC  A1526 ( 4.9A)
None
None
 1.23A 2igtC-2wzfA:
undetectable		 2igtC-2wzfA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2wzg GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		5 / 12 PHE A 239
ALA A 452
SER A 448
ALA A 456
GLY A 451
 None
None
UPG  A1525 ( 4.9A)
None
None
 1.23A 2igtC-2wzgA:
undetectable		 2igtC-2wzgA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		 5wpi HSVA
(Erwinia
amylovora) 		5 / 12 PRO A  17
ALA A 352
ALA A 119
PHE A 149
ILE A 152
 PRO  A  17 ( 1.1A)
ALA  A 352 ( 0.0A)
ALA  A 119 ( 0.0A)
PHE  A 149 ( 1.3A)
ILE  A 152 ( 0.6A)
 1.30A 2jjpA-5wpiA:
undetectable		 2jjpA-5wpiA:
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.
2O4L_A_TPVA403_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.76A 2o4lB-1wsvA:
undetectable		 2o4lB-1wsvA:
15.12
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.
2O4P_A_TPVA300_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 9 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.77A 2o4pB-1wsvA:
undetectable		 2o4pB-1wsvA:
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 6 THR A 207
ASP A 210
ASN A 216
ASP A 289
 None
CA  A1526 (-2.8A)
CA  A1526 (-3.3A)
None
 1.33A 2okcA-2yeqA:
undetectable		 2okcA-2yeqA:
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.
2OQE_A_CUA801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.42A 2oqeA-1oalA:
undetectable		 2oqeA-1oalA:
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.
2OQE_A_CUA801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.49A 2oqeA-1sxzA:
undetectable		 2oqeA-1sxzA:
13.09
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)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.43A 2oqeA-1xsoA:
undetectable		 2oqeA-1xsoA:
13.68
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.
2OQE_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.41A 2oqeB-1oalA:
undetectable		 2oqeB-1oalA:
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.
2OQE_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.48A 2oqeB-1sxzA:
undetectable		 2oqeB-1sxzA:
13.09
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_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.42A 2oqeB-1xsoA:
undetectable		 2oqeB-1xsoA:
13.68
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.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.42A 2oqeC-1oalA:
undetectable		 2oqeC-1oalA:
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.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.50A 2oqeC-1sxzA:
undetectable		 2oqeC-1sxzA:
13.09
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_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.43A 2oqeC-1xsoA:
undetectable		 2oqeC-1xsoA:
13.68
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.
2OQE_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.42A 2oqeD-1oalA:
undetectable		 2oqeD-1oalA:
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.
2OQE_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.49A 2oqeD-1sxzA:
undetectable		 2oqeD-1sxzA:
13.09
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_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.42A 2oqeD-1xsoA:
undetectable		 2oqeD-1xsoA:
13.68
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.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.41A 2oqeF-1oalA:
undetectable		 2oqeF-1oalA:
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.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.49A 2oqeF-1sxzA:
2.1		 2oqeF-1sxzA:
13.09
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_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.43A 2oqeF-1xsoA:
undetectable		 2oqeF-1xsoA:
13.68
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.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		3 / 3 SER A 499
HIS A 129
ASP A 151
 None
None
CA  A1525 (-2.4A)
 0.65A 2oxtA-2yeqA:
undetectable		 2oxtA-2yeqA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.83A 2pymA-1wsvA:
undetectable		 2pymA-1wsvA:
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.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.84A 2pymB-1wsvA:
undetectable		 2pymB-1wsvA:
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.83A 2pynA-1wsvA:
undetectable		 2pynA-1wsvA:
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.82A 2pynB-1wsvA:
undetectable		 2pynB-1wsvA:
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.85A 2q63A-1wsvA:
undetectable		 2q63A-1wsvA:
14.13
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.86A 2q63B-1wsvA:
undetectable		 2q63B-1wsvA:
14.13
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.81A 2q64B-1wsvA:
undetectable		 2q64B-1wsvA:
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.84A 2qakB-1wsvA:
undetectable		 2qakB-1wsvA:
14.13
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		 4d3y LEGUMAIN
(Cricetulus
griseus) 		4 / 7 TYR A 149
THR A 151
VAL A 240
VAL A 100
 None
SNN  A 152 ( 3.8A)
None
None
 1.00A 2qbnA-4d3yA:
undetectable		 2qbnA-4d3yA:
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.
2QEU_A_ACTA142_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 5 GLU A 347
PRO A 350
ILE A 351
GLY A 348
 152  A5001 (-4.0A)
None
None
None
 1.07A 2qeuA-1ndfA:
0.0
2qeuC-1ndfA:
0.0		 2qeuA-1ndfA:
11.54
2qeuC-1ndfA:
11.54
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.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		4 / 7 GLU A 400
GLY A 403
GLN A 343
PHE A 158
 None
None
NDP  A1523 ( 4.6A)
NDP  A1523 ( 4.6A)
 0.93A 2qmzA-2vroA:
3.0
2qmzB-2vroA:
undetectable		 2qmzA-2vroA:
17.75
2qmzB-2vroA:
17.75
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.
2R5P_B_MK1B902_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 2r5pA-1wsvA:
undetectable		 2r5pA-1wsvA:
14.13
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.
2R5P_D_MK1D902_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 2r5pC-1wsvA:
undetectable		 2r5pC-1wsvA:
14.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RCT_A_RTLA140_0
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		11 / 12 PHE A  16
MET A  20
ILE A  25
ALA A  33
LYS A  40
THR A  53
ARG A  58
VAL A  62
LEU A  77
GLN A 108
LEU A 117
 None
None
None
None
None
None
SO4  A 152 (-3.1A)
None
None
None
None
 0.49A 2rctA-2rcqA:
29.6		 2rctA-2rcqA:
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		3 / 3 ASN A 293
ASN A 271
ARG A 502
 BGC  A1526 (-3.0A)
None
None
 0.72A 2rlcA-2wzfA:
undetectable		 2rlcA-2wzfA:
20.59
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.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 11 ALA B 433
MET B  88
GLY B 471
ILE B 344
VAL B 476
 None
IMP  B1527 (-4.0A)
IMP  B1527 (-3.1A)
None
None
 1.15A 2uxpB-4af0B:
undetectable		 2uxpB-4af0B:
17.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		9 / 9 PHE A 236
ALA A 237
TYR A 238
ALA A 308
GLY A 309
GLY A 333
HIS A 339
ILE A 340
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 ( 4.9A)
BEZ  A1529 (-2.9A)
 0.00A 2v7bA-2v7bA:
74.1		 2v7bA-2v7bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		9 / 9 PHE A 236
ALA A 237
TYR A 238
ALA A 308
GLY A 309
GLY A 333
HIS A 339
ILE A 340
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 ( 4.9A)
BEZ  A1529 (-2.9A)
 0.09A 2v7bB-2v7bA:
72.2		 2v7bB-2v7bA:
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.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
(Prochlorococcus
marinus) 		4 / 7 ASP D 417
PHE D 179
SER D 403
ARG D 401
 EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
 1.37A 2v7uB-2ynmD:
undetectable		 2v7uB-2ynmD:
20.04
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.
2VCT_C_ASDC1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 2aj7 HYPOTHETICAL PROTEIN
BH3618
(Bacillus
halodurans) 		4 / 8 ILE A  20
GLY A 123
LEU A  83
PHE A  94
 None
None
None
EDO  A 152 ( 4.0A)
 0.88A 2vctC-2aj7A:
undetectable		 2vctC-2aj7A:
24.90
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.
2VCV_A_ASDA1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 TYR A 106
PHE A 108
PRO A 300
ALA A 427
 None
CL  A1527 (-4.6A)
None
None
 1.13A 2vcvA-1oahA:
0.5		 2vcvA-1oahA:
19.21
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 12 GLY A 309
LEU A 284
SER A 307
ALA A 308
ASN A 242
 BEZ  A1529 (-3.5A)
None
None
BEZ  A1529 (-3.6A)
None
 1.04A 2vmyA-2v7bA:
3.4		 2vmyA-2v7bA:
22.30
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.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 2jgp TYROCIDINE
SYNTHETASE 3
(Brevibacillus
brevis) 		4 / 6 LEU A 242
SER A 231
ASP A 228
GLU A 238
 None
None
SO4  A1523 (-4.9A)
None
 1.28A 2vn1B-2jgpA:
undetectable		 2vn1B-2jgpA:
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.53A 2w0qA-1oalA:
undetectable		 2w0qA-1oalA:
11.83
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.60A 2w0qA-1sxzA:
undetectable		 2w0qA-1sxzA:
12.45
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.51A 2w0qA-1xsoA:
undetectable		 2w0qA-1xsoA:
13.18
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.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.47A 2w0qB-1oalA:
undetectable		 2w0qB-1oalA:
11.83
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.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.54A 2w0qB-1sxzA:
undetectable		 2w0qB-1sxzA:
12.45
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.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.48A 2w0qB-1xsoA:
undetectable		 2w0qB-1xsoA:
13.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 4 HIS A  45
HIS A  47
HIS A  70
HIS A 125
 CU  A 153 (-3.0A)
CU  A 153 (-3.1A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.2A)
 0.18A 2wkoA-1oalA:
20.4		 2wkoA-1oalA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		4 / 4 HIS A  44
HIS A  46
HIS A  61
HIS A 118
 CU  A 152 ( 3.1A)
CU  A 152 (-3.4A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.2A)
 0.27A 2wkoA-1sxzA:
31.3		 2wkoA-1sxzA:
81.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		4 / 4 HIS A  44
HIS A  46
HIS A  61
HIS A 118
 CU  A   1 ( 3.0A)
CU  A   1 ( 3.4A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.3A)
 0.33A 2wkoA-1xsoA:
30.9		 2wkoA-1xsoA:
65.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 5 HIS A  45
HIS A  47
HIS A  70
HIS A 125
 CU  A 153 (-3.0A)
CU  A 153 (-3.1A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.2A)
 0.19A 2wkoF-1oalA:
20.3		 2wkoF-1oalA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		5 / 5 HIS A  44
HIS A  46
HIS A  61
VAL A 116
HIS A 118
 CU  A 152 ( 3.1A)
CU  A 152 (-3.4A)
ZN  A 153 ( 3.1A)
None
CU  A 152 (-3.2A)
 0.28A 2wkoF-1sxzA:
31.2		 2wkoF-1sxzA:
81.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		5 / 5 HIS A  44
HIS A  46
HIS A  61
VAL A 116
HIS A 118
 CU  A   1 ( 3.0A)
CU  A   1 ( 3.4A)
ZN  A 152 (-3.1A)
None
CU  A   1 ( 3.3A)
 0.37A 2wkoF-1xsoA:
30.6		 2wkoF-1xsoA:
65.58
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.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 10 THR A  73
VAL A  57
ASN A 109
VAL A 108
GLY A 134
 JLN  A1528 (-2.7A)
None
None
None
JLN  A1528 (-3.2A)
 1.42A 2x2iD-4a1oA:
1.7		 2x2iD-4a1oA:
20.54
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.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 2y69A-1oalA:
undetectable		 2y69A-1oalA:
18.60
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.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 2y69A-1sxzA:
undetectable		 2y69A-1sxzA:
13.23
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.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 2y69A-1xsoA:
undetectable		 2y69A-1xsoA:
14.19
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.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.96A 2y69C-1ndfA:
1.4
2y69N-1ndfA:
0.0
2y69P-1ndfA:
1.3		 2y69C-1ndfA:
17.22
2y69N-1ndfA:
20.15
2y69P-1ndfA:
17.22
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.70A 2y69N-1oalA:
undetectable		 2y69N-1oalA:
18.60
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 2y69N-1sxzA:
undetectable		 2y69N-1sxzA:
13.23
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 2y69N-1xsoA:
undetectable		 2y69N-1xsoA:
14.19
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.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		4 / 8 ARG A 317
GLY A  51
PRO A  83
MET A 361
 FAD  A1524 ( 4.8A)
FAD  A1524 ( 4.8A)
COM  A1525 ( 4.2A)
FAD  A1524 ( 3.6A)
 0.95A 2y6rB-2c3dA:
8.8		 2y6rB-2c3dA:
23.15
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.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 6 ARG A 282
ASP A 209
GLU A 155
TYR A 161
 None
CA  A1525 (-3.4A)
None
EDO  A 552 (-4.9A)
 1.31A 2ya7C-2yeqA:
undetectable		 2ya7C-2yeqA:
20.21
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		4 / 8 ASP A 207
TYR A 176
GLY A 184
PRO A 204
 CYC  A1521 (-3.9A)
None
None
None
 0.93A 2ys6A-2veaA:
undetectable		 2ys6A-2veaA:
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 5fxe EUGENOL OXIDASE
(Rhodococcus
jostii) 		3 / 3 ASP A 216
PHE A 219
LEU A 162
 GOL  A1529 ( 4.4A)
None
FAD  A 600 (-4.3A)
 0.69A 2zi9A-5fxeA:
undetectable		 2zi9A-5fxeA:
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.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
ASP A  91
LEU A 138
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
ZN  A 152 (-2.2A)
None
None
CU  A 153 (-3.1A)
 1.14A 2zj0C-1oalA:
undetectable		 2zj0C-1oalA:
15.91
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 8 ILE A 297
ASN A 293
ARG A 502
ASP A 246
 None
BGC  A1526 (-3.0A)
None
BGC  A1526 (-2.7A)
 1.08A 2zw9B-2wzfA:
undetectable		 2zw9B-2wzfA:
19.75
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4b97 CELLULOSE BINDING
DOMAIN-CONTAINING
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ILE A  47
ASN A 117
ASP A 121
TYR A  45
 None
None
CA  A1152 (-2.9A)
None
 0.97A 2zw9B-4b97A:
undetectable		 2zw9B-4b97A:
11.53
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.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 2zxwA-1oalA:
undetectable		 2zxwA-1oalA:
18.60
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.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 2zxwA-1sxzA:
undetectable		 2zxwA-1sxzA:
13.23
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.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 2zxwA-1xsoA:
undetectable		 2zxwA-1xsoA:
14.19
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.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 2zxwN-1oalA:
undetectable		 2zxwN-1oalA:
18.60
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.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 2zxwN-1sxzA:
undetectable		 2zxwN-1sxzA:
13.23
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.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 2zxwN-1xsoA:
undetectable		 2zxwN-1xsoA:
14.19
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		3 / 3 ARG A 282
ASP A 151
ASN A 216
 None
CA  A1525 (-2.4A)
CA  A1526 (-3.3A)
 0.85A 2zzmA-2yeqA:
undetectable		 2zzmA-2yeqA:
20.30
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 TYR B 425
VAL B  91
SER B  86
GLY B 342
ILE B 344
 IMP  B1527 (-4.6A)
None
IMP  B1527 (-2.6A)
IMP  B1527 (-3.3A)
None
 1.44A 3a65A-4af0B:
undetectable		 3a65A-4af0B:
22.74
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3abkA-1oalA:
undetectable		 3abkA-1oalA:
18.60
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 3abkA-1sxzA:
undetectable		 3abkA-1sxzA:
13.23
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 3abkA-1xsoA:
undetectable		 3abkA-1xsoA:
14.19
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.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3abkN-1oalA:
undetectable		 3abkN-1oalA:
18.60
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.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 3abkN-1sxzA:
undetectable		 3abkN-1sxzA:
13.23
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.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 3abkN-1xsoA:
undetectable		 3abkN-1xsoA:
14.19
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.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.61A 3ablA-1oalA:
undetectable		 3ablA-1oalA:
18.60
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.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.56A 3ablA-1sxzA:
undetectable		 3ablA-1sxzA:
13.23
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.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.42A 3ablA-1xsoA:
undetectable		 3ablA-1xsoA:
14.19
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.09A 3ablA-1ndfA:
2.7
3ablC-1ndfA:
1.3
3ablP-1ndfA:
1.4		 3ablA-1ndfA:
20.15
3ablC-1ndfA:
17.22
3ablP-1ndfA:
17.22
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.
3ABL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.61A 3ablN-1oalA:
undetectable		 3ablN-1oalA:
18.60
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.
3ABL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.54A 3ablN-1sxzA:
undetectable		 3ablN-1sxzA:
13.23
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.
3ABL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.41A 3ablN-1xsoA:
undetectable		 3ablN-1xsoA:
14.19
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.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.06A 3ablC-1ndfA:
1.1
3ablN-1ndfA:
0.0
3ablP-1ndfA:
1.4		 3ablC-1ndfA:
17.22
3ablN-1ndfA:
20.15
3ablP-1ndfA:
17.22
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.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3abmA-1oalA:
undetectable		 3abmA-1oalA:
18.60
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.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 3abmA-1sxzA:
undetectable		 3abmA-1sxzA:
13.23
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.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 3abmA-1xsoA:
undetectable		 3abmA-1xsoA:
14.19
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.99A 3abmA-1ndfA:
2.8
3abmC-1ndfA:
1.3
3abmP-1ndfA:
1.3		 3abmA-1ndfA:
20.15
3abmC-1ndfA:
17.22
3abmP-1ndfA:
17.22
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.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3abmN-1oalA:
undetectable		 3abmN-1oalA:
18.60
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.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 3abmN-1sxzA:
undetectable		 3abmN-1sxzA:
13.23
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.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 3abmN-1xsoA:
undetectable		 3abmN-1xsoA:
14.19
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.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.69A 3ag1A-1oalA:
undetectable		 3ag1A-1oalA:
18.60
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.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.66A 3ag1A-1sxzA:
undetectable		 3ag1A-1sxzA:
13.23
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.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.53A 3ag1A-1xsoA:
undetectable		 3ag1A-1xsoA:
14.19
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.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.72A 3ag1N-1oalA:
undetectable		 3ag1N-1oalA:
18.60
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.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.67A 3ag1N-1sxzA:
undetectable		 3ag1N-1sxzA:
13.23
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.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.54A 3ag1N-1xsoA:
undetectable		 3ag1N-1xsoA:
14.19
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.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 3ag2A-1oalA:
undetectable		 3ag2A-1oalA:
18.60
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.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 3ag2A-1sxzA:
undetectable		 3ag2A-1sxzA:
13.23
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.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 3ag2A-1xsoA:
undetectable		 3ag2A-1xsoA:
14.19
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.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 3ag2N-1oalA:
undetectable		 3ag2N-1oalA:
18.60
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.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 3ag2N-1sxzA:
undetectable		 3ag2N-1sxzA:
13.23
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.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 3ag2N-1xsoA:
undetectable		 3ag2N-1xsoA:
14.19
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.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3ag3A-1oalA:
undetectable		 3ag3A-1oalA:
18.60
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.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 3ag3A-1sxzA:
undetectable		 3ag3A-1sxzA:
13.23
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.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 3ag3A-1xsoA:
undetectable		 3ag3A-1xsoA:
14.19
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.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3ag3N-1oalA:
undetectable		 3ag3N-1oalA:
18.60
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.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 3ag3N-1sxzA:
undetectable		 3ag3N-1sxzA:
13.23
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.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 3ag3N-1xsoA:
undetectable		 3ag3N-1xsoA:
14.19
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.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.65A 3ag4A-1xsoA:
undetectable		 3ag4A-1xsoA:
14.19
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.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.74A 3ag4N-1sxzA:
undetectable		 3ag4N-1sxzA:
13.23
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.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.61A 3ag4N-1xsoA:
undetectable		 3ag4N-1xsoA:
14.19
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 2wfg CYTOSOLIC
LEUCYL-TRNA
SYNTHETASE
(Candida
albicans) 		5 / 8 VAL A 313
GLY A 408
THR A 409
GLU A 528
ALA A 353
 None
ZZB  A1529 ( 4.6A)
None
None
None
 1.47A 3aruA-2wfgA:
undetectable		 3aruA-2wfgA:
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.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3asnA-1oalA:
undetectable		 3asnA-1oalA:
18.60
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.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 3asnA-1sxzA:
undetectable		 3asnA-1sxzA:
13.23
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.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 3asnA-1xsoA:
undetectable		 3asnA-1xsoA:
14.19
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.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 3asnN-1oalA:
undetectable		 3asnN-1oalA:
18.60
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.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 3asnN-1sxzA:
undetectable		 3asnN-1sxzA:
13.23
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.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 3asnN-1xsoA:
undetectable		 3asnN-1xsoA:
14.19
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.01A 3asnC-1ndfA:
1.3
3asnN-1ndfA:
0.0
3asnP-1ndfA:
1.3		 3asnC-1ndfA:
17.22
3asnN-1ndfA:
20.15
3asnP-1ndfA:
17.22
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.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 3asoA-1oalA:
undetectable		 3asoA-1oalA:
18.60
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.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 3asoA-1sxzA:
undetectable		 3asoA-1sxzA:
13.23
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.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 3asoA-1xsoA:
undetectable		 3asoA-1xsoA:
14.19
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.01A 3asoA-1ndfA:
0.2
3asoC-1ndfA:
1.3
3asoP-1ndfA:
undetectable		 3asoA-1ndfA:
20.15
3asoC-1ndfA:
17.22
3asoP-1ndfA:
17.22
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.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 3asoN-1oalA:
undetectable		 3asoN-1oalA:
18.60
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.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 3asoN-1sxzA:
undetectable		 3asoN-1sxzA:
13.23
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.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 3asoN-1xsoA:
undetectable		 3asoN-1xsoA:
14.19
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.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.99A 3asoC-1ndfA:
1.3
3asoN-1ndfA:
0.0
3asoP-1ndfA:
1.4		 3asoC-1ndfA:
17.22
3asoN-1ndfA:
20.15
3asoP-1ndfA:
17.22
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.
3BJW_A_SVRA508_1
(PHOSPHOLIPASE A2)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 5 VAL A 114
GLN A 328
PHE A 566
ARG A 256
 None
None
152  A5001 (-3.3A)
None
 1.09A 3bjwE-1ndfA:
0.0		 3bjwE-1ndfA:
11.13
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.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 6 VAL A 114
GLN A 328
PHE A 566
ARG A 256
 None
None
152  A5001 (-3.3A)
None
 1.19A 3bjwF-1ndfA:
0.0		 3bjwF-1ndfA:
11.13
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.
3BJW_H_SVRH511_2
(PHOSPHOLIPASE A2)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		4 / 5 VAL A 108
VAL A  17
THR A  73
THR A 152
 None
None
JLN  A1528 (-2.7A)
None
 1.27A 3bjwD-4a1oA:
undetectable		 3bjwD-4a1oA:
13.36
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.89A 3bvbB-1wsvA:
undetectable		 3bvbB-1wsvA:
14.93
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.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.68A 3bvdA-1oalA:
undetectable		 3bvdA-1oalA:
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.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 3bvdA-1sxzA:
undetectable		 3bvdA-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 3bvdA-1xsoA:
undetectable		 3bvdA-1xsoA:
13.84
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.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.76A 3cywA-1wsvA:
undetectable		 3cywA-1wsvA:
13.49
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.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.86A 3cywB-1wsvA:
undetectable		 3cywB-1wsvA:
13.49
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.
3D20_A_017A201_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.91A 3d20A-1wsvA:
undetectable		 3d20A-1wsvA:
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.81A 3d20B-1wsvA:
undetectable		 3d20B-1wsvA:
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.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 7 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.00A 3d2tA-2eyqA:
undetectable		 3d2tA-2eyqA:
8.05
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.72A 3dtuA-1oalA:
undetectable		 3dtuA-1oalA:
14.47
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.68A 3dtuA-1sxzA:
undetectable		 3dtuA-1sxzA:
13.43
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.55A 3dtuA-1xsoA:
undetectable		 3dtuA-1xsoA:
14.42
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.72A 3dtuC-1oalA:
undetectable		 3dtuC-1oalA:
14.47
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.67A 3dtuC-1sxzA:
undetectable		 3dtuC-1sxzA:
13.43
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.54A 3dtuC-1xsoA:
undetectable		 3dtuC-1xsoA:
14.42
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.
3EKP_B_478B200_1
(PROTEASE)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		5 / 8 GLY A 411
ALA A 410
GLY A 476
ILE A 477
ILE A 494
 ADP  A1528 (-3.4A)
ADP  A1528 (-3.2A)
None
None
ADP  A1528 ( 4.1A)
 1.01A 3ekpA-1q3sA:
undetectable		 3ekpA-1q3sA:
11.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		3 / 3 VAL A  27
LYS A  30
HIS A  57
 CHD  A 152 ( 4.3A)
CHD  A 152 ( 4.1A)
CHD  A 152 (-3.7A)
 0.00A 3elzA-3elzA:
27.5		 3elzA-3elzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		3 / 3 ASN A  55
HIS A  57
VAL A  74
 None
CHD  A 152 (-3.7A)
CHD  A 200 (-3.7A)
 0.42A 3elzB-3elzA:
24.8		 3elzB-3elzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ELZ_B_CHDB200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		5 / 5 PRO A  24
VAL A  27
THR A  73
GLY A  75
LYS A  77
 CHD  A 200 (-4.7A)
CHD  A 152 ( 4.3A)
CHD  A 200 (-3.1A)
CHD  A 200 (-3.4A)
CHD  A 153 ( 4.6A)
 1.08A 3elzB-3elzA:
24.8		 3elzB-3elzA:
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.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 12 ASN A 242
VAL A 277
LEU A 338
ILE A 340
THR A 211
 None
None
None
BEZ  A1529 ( 4.9A)
None
 1.27A 3elzC-2v7bA:
undetectable		 3elzC-2v7bA:
15.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ELZ_C_CHDC151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		10 / 10 TYR A  14
ILE A  21
ILE A  23
VAL A  27
GLY A  31
TYR A  53
PRO A  54
VAL A  74
LEU A 123
ARG A 125
 CHD  A 151 (-4.9A)
CHD  A 153 ( 4.1A)
CHD  A 200 ( 4.7A)
CHD  A 152 ( 4.3A)
CHD  A 151 (-3.6A)
CHD  A 151 (-4.5A)
None
CHD  A 200 (-3.7A)
CHD  A 151 (-4.2A)
CHD  A 151 (-4.1A)
 0.54A 3elzC-3elzA:
21.6		 3elzC-3elzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		7 / 10 TYR A  14
CYH A  18
ILE A  21
ILE A  23
LYS A  30
GLY A  31
LEU A 123
 CHD  A 151 (-4.9A)
CHD  A 151 ( 4.2A)
CHD  A 153 ( 4.1A)
CHD  A 200 ( 4.7A)
CHD  A 152 ( 4.1A)
CHD  A 151 (-3.6A)
CHD  A 151 (-4.2A)
 1.05A 3em0A-3elzA:
24.6		 3em0A-3elzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		9 / 10 TYR A  14
CYH A  18
ILE A  21
ILE A  23
VAL A  27
GLY A  31
TYR A  53
VAL A  74
LEU A 123
 CHD  A 151 (-4.9A)
CHD  A 151 ( 4.2A)
CHD  A 153 ( 4.1A)
CHD  A 200 ( 4.7A)
CHD  A 152 ( 4.3A)
CHD  A 151 (-3.6A)
CHD  A 151 (-4.5A)
CHD  A 200 (-3.7A)
CHD  A 151 (-4.2A)
 0.59A 3em0A-3elzA:
24.6		 3em0A-3elzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		9 / 12 TYR A  14
CYH A  18
ILE A  21
ILE A  23
VAL A  27
LYS A  30
GLY A  31
PHE A  34
LEU A 123
 CHD  A 151 (-4.9A)
CHD  A 151 ( 4.2A)
CHD  A 153 ( 4.1A)
CHD  A 200 ( 4.7A)
CHD  A 152 ( 4.3A)
CHD  A 152 ( 4.1A)
CHD  A 151 (-3.6A)
CHD  A 151 ( 4.6A)
CHD  A 151 (-4.2A)
 0.70A 3em0B-3elzA:
23.6		 3em0B-3elzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3elz ILEAL BILE
ACID-BINDING PROTEIN
(Danio
rerio) 		7 / 12 TYR A  14
VAL A  27
LYS A  30
GLY A  31
PHE A  34
LEU A 123
ARG A 125
 CHD  A 151 (-4.9A)
CHD  A 152 ( 4.3A)
CHD  A 152 ( 4.1A)
CHD  A 151 (-3.6A)
CHD  A 151 ( 4.6A)
CHD  A 151 (-4.2A)
CHD  A 151 (-4.1A)
 1.15A 3em0B-3elzA:
23.6		 3em0B-3elzA:
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.
3EM3_B_478B200_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 10 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 3em3A-1wsvA:
undetectable		 3em3A-1wsvA:
13.87
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.
3EM3_B_478B200_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 10 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.75A 3em3B-1wsvA:
undetectable		 3em3B-1wsvA:
13.87
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.
3EM6_A_017A200_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.85A 3em6B-1wsvA:
undetectable		 3em6B-1wsvA:
14.13
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 12 HIS A 339
THR A 211
GLY A 243
GLY A 241
VAL A 277
 BEZ  A1529 (-3.8A)
None
None
None
None
 0.93A 3fzgA-2v7bA:
undetectable		 3fzgA-2v7bA:
17.62
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
GLN A  48
ASP A  91
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
None
ZN  A 152 (-2.2A)
None
CU  A 153 (-3.1A)
 1.38A 3g1uB-1oalA:
undetectable		 3g1uB-1oalA:
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		5 / 6 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
 0.30A 3galA-1uleA:
16.9		 3galA-1uleA:
24.18
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		5 / 6 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
 0.39A 3galB-1uleA:
16.4		 3galB-1uleA:
24.18
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		 5xxu RIBOSOMAL PROTEIN
ES25
RIBOSOMAL PROTEIN
US7
(Toxoplasma
gondii) 		4 / 6 HIS Z 149
ARG F  79
PHE F   8
PRO F  38
 C  21528 ( 4.9A)
G  21527 ( 4.9A)
None
None
 1.32A 3gclA-5xxuZ:
undetectable		 3gclA-5xxuZ:
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.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.42A 3hiiA-1oalA:
undetectable		 3hiiA-1oalA:
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.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.47A 3hiiA-1sxzA:
2.3		 3hiiA-1sxzA:
12.18
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.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.37A 3hiiA-1xsoA:
2.3		 3hiiA-1xsoA:
12.24
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_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
HIS A  47
HIS A  45
 ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
CU  A 153 (-3.0A)
 0.44A 3hiiB-1oalA:
undetectable		 3hiiB-1oalA:
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.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
CU  A 152 ( 3.1A)
 0.49A 3hiiB-1sxzA:
2.0		 3hiiB-1sxzA:
12.18
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.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
HIS A  46
HIS A  44
 ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
CU  A   1 ( 3.0A)
 0.39A 3hiiB-1xsoA:
2.0		 3hiiB-1xsoA:
12.24
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.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		5 / 12 PRO A 218
GLY A 355
PHE A 360
SER A 240
ASP A 361
 None
None
None
None
SGN  A1522 (-2.8A)
 1.31A 3iv6A-5g2vA:
undetectable		 3iv6A-5g2vA:
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.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		5 / 12 PRO A 218
GLY A 355
PHE A 360
SER A 240
ASP A 361
 None
None
None
None
SGN  A1522 (-2.8A)
 1.36A 3iv6C-5g2vA:
undetectable		 3iv6C-5g2vA:
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.93A 3jvyA-1wsvA:
undetectable		 3jvyA-1wsvA:
14.93
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.
3JVY_B_017B401_2
(GAG-POL POLYPROTEIN)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.84A 3jvyB-1wsvA:
undetectable		 3jvyB-1wsvA:
14.93
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 ASN A 154
ASP A 152
ARG A 244
 ASN  A 154 ( 0.6A)
ASP  A 152 ( 0.6A)
ARG  A 244 ( 0.6A)
 0.83A 3k13A-3r9rA:
undetectable		 3k13A-3r9rA:
20.25
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.31A 3k37B-2yjqA:
undetectable		 3k37B-2yjqA:
20.76
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.37A 3k39B-2yjqA:
undetectable		 3k39B-2yjqA:
20.86
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.36A 3k39C-2yjqA:
undetectable		 3k39C-2yjqA:
20.86
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		5 / 12 GLU A 446
ASP A 361
ARG A 200
ALA A  75
GLU A 442
 SGN  A1522 (-2.9A)
SGN  A1522 (-2.8A)
SGN  A1522 (-3.6A)
None
None
 1.49A 3k39C-5g2vA:
undetectable		 3k39C-5g2vA:
21.03
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.38A 3k39D-2yjqA:
undetectable		 3k39D-2yjqA:
20.86
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.
3K39_I_BCZI1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.38A 3k39I-2yjqA:
undetectable		 3k39I-2yjqA:
20.86
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.
3K39_J_BCZJ1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.38A 3k39J-2yjqA:
undetectable		 3k39J-2yjqA:
20.86
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.
3K39_J_BCZJ1001_0
(NEURAMINIDASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		5 / 12 GLU A 446
ASP A 361
ARG A 200
ALA A  75
GLU A 442
 SGN  A1522 (-2.9A)
SGN  A1522 (-2.8A)
SGN  A1522 (-3.6A)
None
None
 1.49A 3k39J-5g2vA:
undetectable		 3k39J-5g2vA:
21.03
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.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.37A 3k39K-2yjqA:
undetectable		 3k39K-2yjqA:
20.86
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.38A 3k39L-2yjqA:
undetectable		 3k39L-2yjqA:
20.86
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		5 / 12 GLU A 446
ASP A 361
ARG A 200
ALA A  75
GLU A 442
 SGN  A1522 (-2.9A)
SGN  A1522 (-2.8A)
SGN  A1522 (-3.6A)
None
None
 1.49A 3k39L-5g2vA:
undetectable		 3k39L-5g2vA:
21.03
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.82A 3k4vB-1wsvA:
undetectable		 3k4vB-1wsvA:
14.89
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.79A 3k4vC-1wsvA:
undetectable		 3k4vC-1wsvA:
14.93
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 6 HIS A  75
VAL A 164
LEU A 241
LEU A 168
 ATP  A1527 (-4.1A)
None
None
None
 0.93A 3kk6A-2z02A:
undetectable		 3kk6A-2z02A:
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		5 / 10 PHE A 495
ASP A 295
SER A 497
LEU A 156
ILE A 168
 None
BGC  A1526 (-4.3A)
None
None
None
 1.47A 3ko0O-2wzfA:
undetectable
3ko0P-2wzfA:
undetectable
3ko0Q-2wzfA:
0.0
3ko0R-2wzfA:
0.0		 3ko0O-2wzfA:
11.39
3ko0P-2wzfA:
11.39
3ko0Q-2wzfA:
11.39
3ko0R-2wzfA:
11.39
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 5g49 NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT B-6
(Arabidopsis
thaliana) 		5 / 12 ILE A  90
VAL A  68
ILE A  69
ILE A  82
SER A  83
 None
None
None
None
ACT  B1152 (-2.7A)
 1.19A 3kpbA-5g49A:
undetectable		 3kpbA-5g49A:
24.80
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.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 5g49 NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT B-6
NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT C-3
(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		5 / 11 ILE A  90
THR B 109
ILE A  69
ILE A  82
SER A  83
 None
None
None
None
ACT  B1152 (-2.7A)
 1.20A 3kpcA-5g49A:
undetectable		 3kpcA-5g49A:
24.80
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.
3KPD_B_SAMB1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		3 / 3 ASN A 162
ASN A 165
GLU A 478
 None
BGC  A1520 (-3.2A)
None
 0.82A 3kpdC-3zmrA:
undetectable		 3kpdC-3zmrA:
13.36
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.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 4c0n 2-ON-2 HEMOGLOBIN
(Arabidopsis
thaliana) 		5 / 12 HIS A 139
SER A   9
ALA A 146
ILE A  95
LEU A 150
 None
None
None
CL  A1152 (-4.1A)
None
 1.35A 3lcvB-4c0nA:
undetectable		 3lcvB-4c0nA:
20.59
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.
3LSF_E_PZIE800_0
(GLUTAMATE RECEPTOR 2)		 5a30 MITOCHONDRIAL
PROTEIN
(Gallus
gallus) 		5 / 10 SER A 227
GLY A 225
PRO A 223
SER A 321
LEU A 320
 None
AGS  A1529 (-3.6A)
None
None
None
 1.30A 3lsfB-5a30A:
undetectable
3lsfE-5a30A:
undetectable		 3lsfB-5a30A:
22.16
3lsfE-5a30A:
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.85A 3lzsA-1wsvA:
undetectable		 3lzsA-1wsvA:
14.13
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.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.82A 3lzsB-1wsvA:
undetectable		 3lzsB-1wsvA:
14.13
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.79A 3lzuA-1wsvA:
undetectable		 3lzuA-1wsvA:
14.13
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.
3LZU_A_017A200_2
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.81A 3lzuB-1wsvA:
undetectable		 3lzuB-1wsvA:
14.13
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.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 9 LEU A  82
PHE A 103
ILE A  38
THR A  40
THR A  73
 None
None
None
JLN  A1528 (-4.0A)
JLN  A1528 (-2.7A)
 1.31A 3mdtA-4a1oA:
undetectable		 3mdtA-4a1oA:
22.30
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.
3MEG_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 LEU A 393
LYS A 394
ASN A 398
VAL A 401
TYR A 361
 EDO  A1523 ( 4.7A)
None
None
None
None
 1.24A 3megA-2yjqA:
undetectable		 3megA-2yjqA:
21.29
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		5 / 12 GLY A 121
VAL A 352
THR A 553
ILE A 576
PHE A 566
 None
None
None
None
152  A5001 (-3.3A)
 1.31A 3mnpA-1ndfA:
undetectable		 3mnpA-1ndfA:
18.23
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.80A 3mwsB-1wsvA:
undetectable		 3mwsB-1wsvA:
13.11
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		 4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE
(Bacteroides
thetaiotaomicron) 		5 / 12 PHE A 454
TYR A 514
ILE A 448
ALA A 443
THR A 447
 EDO  A1530 ( 4.7A)
None
None
EDO  A1526 (-3.7A)
None
 1.31A 3ndiA-4c1sA:
undetectable		 3ndiA-4c1sA:
20.76
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.
3NDT_D_ROCD100_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.84A 3ndtD-1wsvA:
undetectable		 3ndtD-1wsvA:
14.89
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.
3NDU_D_ROCD100_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.79A 3nduC-1wsvA:
undetectable		 3nduC-1wsvA:
14.89
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.
3NU6_B_478B401_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 10 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.92A 3nu6B-1wsvA:
undetectable		 3nu6B-1wsvA:
13.23
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.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 9 ARG A 456
ILE A 877
LEU A 850
PHE A 632
GLY A 633
 EPE  A1152 ( 4.8A)
None
None
None
None
 1.30A 3nxuB-2eyqA:
undetectable		 3nxuB-2eyqA:
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.
3O14_A_NIOA300_1
(ANTI-ECFSIGMA
FACTOR, CHRR)		 2f06 CONSERVED
HYPOTHETICAL PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 ALA A  82
VAL A 130
VAL A  86
LEU A  83
 HIS  A 152 (-3.8A)
None
None
HIS  A 152 (-3.7A)
 0.83A 3o14A-2f06A:
undetectable		 3o14A-2f06A:
19.47
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 10 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.84A 3oxwD-1wsvA:
undetectable		 3oxwD-1wsvA:
14.40
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		5 / 12 LEU A 133
GLY A 138
ILE A 152
VAL A 131
ILE A 168
 LEU  A 133 ( 0.6A)
GLY  A 138 ( 0.0A)
ILE  A 152 ( 0.7A)
VAL  A 131 ( 0.6A)
ILE  A 168 ( 0.6A)
 1.02A 3oxxC-1fxjA:
undetectable		 3oxxC-1fxjA:
15.32
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 11 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.86A 3oy4A-1wsvA:
undetectable		 3oy4A-1wsvA:
13.87
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.
3PWM_B_017B402_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.82A 3pwmA-1wsvA:
undetectable		 3pwmA-1wsvA:
14.93
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.
3PWM_B_017B402_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 3pwmB-1wsvA:
undetectable		 3pwmB-1wsvA:
14.93
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.
3PWR_A_ROCA401_3
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.76A 3pwrB-1wsvA:
undetectable		 3pwrB-1wsvA:
14.93
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.
3ROD_D_NCAD302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 5a0m INTRON-ENCODED
ENDONUCLEASE I-SCEI
(Saccharomyces
cerevisiae) 		4 / 7 TYR A 375
ASP A 344
ALA A 345
ASP A 444
 None
MN  A1529 ( 2.7A)
None
None
 0.96A 3rodD-5a0mA:
undetectable		 3rodD-5a0mA:
22.33
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.
3RV5_C_DXCC92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 4 VAL A 152
PHE A 379
PHE A 380
VAL A 417
 VAL  A 152 ( 0.6A)
PHE  A 379 ( 1.3A)
PHE  A 380 ( 1.3A)
VAL  A 417 ( 0.6A)
 1.27A 3rv5C-5gprA:
undetectable
3rv5D-5gprA:
undetectable		 3rv5C-5gprA:
9.96
3rv5D-5gprA:
9.96
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 3s33A-1oalA:
undetectable		 3s33A-1oalA:
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 3s33A-1sxzA:
undetectable		 3s33A-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 3s33A-1xsoA:
undetectable		 3s33A-1xsoA:
14.21
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 3s38A-1oalA:
undetectable		 3s38A-1oalA:
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 3s38A-1sxzA:
undetectable		 3s38A-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 3s38A-1xsoA:
undetectable		 3s38A-1xsoA:
14.21
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 3s39A-1oalA:
undetectable		 3s39A-1oalA:
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.57A 3s39A-1sxzA:
undetectable		 3s39A-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.44A 3s39A-1xsoA:
undetectable		 3s39A-1xsoA:
14.21
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.73A 3s3aA-1oalA:
undetectable		 3s3aA-1oalA:
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 3s3aA-1sxzA:
undetectable		 3s3aA-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 3s3aA-1xsoA:
undetectable		 3s3aA-1xsoA:
14.21
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.70A 3s3bA-1oalA:
undetectable		 3s3bA-1oalA:
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 3s3bA-1sxzA:
undetectable		 3s3bA-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 3s3bA-1xsoA:
undetectable		 3s3bA-1xsoA:
14.21
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 3s3cA-1oalA:
undetectable		 3s3cA-1oalA:
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 3s3cA-1sxzA:
undetectable		 3s3cA-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 3s3cA-1xsoA:
undetectable		 3s3cA-1xsoA:
14.21
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.61A 3s3dA-1oalA:
undetectable		 3s3dA-1oalA:
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.54A 3s3dA-1sxzA:
undetectable		 3s3dA-1sxzA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.41A 3s3dA-1xsoA:
undetectable		 3s3dA-1xsoA:
14.21
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.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		3 / 3 PHE A 158
SER A 340
GLN A 343
 NDP  A1523 ( 4.6A)
None
NDP  A1523 ( 4.6A)
 0.92A 3smtA-2vroA:
undetectable		 3smtA-2vroA:
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 7 GLY B 292
ASP B 288
VAL B 286
ILE B 337
 None
MOA  B1526 (-3.3A)
None
None
 0.61A 3t3cA-4af0B:
undetectable		 3t3cA-4af0B:
10.79
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 478
LEU A 482
ALA A 471
ASP A 470
SER A 469
 None
None
None
K  A1524 (-3.6A)
None
 0.89A 3tbgB-4a1oA:
undetectable		 3tbgB-4a1oA:
22.66
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 478
LEU A 482
ALA A 471
ASP A 470
SER A 469
 None
None
None
K  A1524 (-3.6A)
None
 0.91A 3tbgD-4a1oA:
undetectable		 3tbgD-4a1oA:
22.66
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.
3TKG_C_ROCC901_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.80A 3tkgD-1wsvA:
undetectable		 3tkgD-1wsvA:
14.93
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.
3TKW_B_017B401_1
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.83A 3tkwA-1wsvA:
undetectable		 3tkwA-1wsvA:
14.93
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.
3TKW_B_017B401_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.80A 3tkwB-1wsvA:
undetectable		 3tkwB-1wsvA:
14.93
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.
3TL9_A_ROCA401_3
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.79A 3tl9B-1wsvA:
undetectable		 3tl9B-1wsvA:
14.93
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.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		5 / 12 ILE A 208
ALA A 212
ALA A 256
LEU A 264
ILE A 224
 CYC  A1521 (-4.0A)
CYC  A1521 ( 3.8A)
CYC  A1521 (-3.9A)
None
None
 0.70A 3uvvA-2veaA:
undetectable		 3uvvA-2veaA:
20.76
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		4 / 8 VAL A 479
TRP A 163
HIS A 485
PHE A 160
 ETE  A1524 (-4.2A)
ETE  A1524 (-3.9A)
None
ETE  A1524 (-4.0A)
 1.49A 3v35A-2vroA:
undetectable		 3v35A-2vroA:
21.04
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 7 PHE A 236
GLY A 309
THR A 335
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-2.9A)
 0.70A 3vnsA-2v7bA:
43.9		 3vnsA-2v7bA:
28.55
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.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		4 / 4 LEU A 480
ILE A 380
TYR A 476
TYR A 431
 None
GLC  A1519 ( 3.9A)
XYS  A1524 (-3.9A)
None
 1.35A 3vt7A-3zmrA:
undetectable		 3vt7A-3zmrA:
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.
3VYW_A_SAMA501_1
(MNMC2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 434
GLU A 114
ASP A  67
GLU A  66
 HEM  A1523 (-3.2A)
CA  A1526 ( 3.4A)
None
None
 1.33A 3vywA-1oahA:
undetectable		 3vywA-1oahA:
19.70
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.
3VYW_A_SAMA501_1
(MNMC2)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		4 / 6 ASP A 154
ASP A 119
ASN A  54
GLU A  56
 CA  A1521 (-3.0A)
None
None
CA  A1521 (-2.1A)
 1.28A 3vywA-2yjqA:
undetectable		 3vywA-2yjqA:
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.
3VYW_D_SAMD401_1
(MNMC2)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		4 / 5 ASP A 154
ASP A 119
ASN A  54
GLU A  56
 CA  A1521 (-3.0A)
None
None
CA  A1521 (-2.1A)
 1.27A 3vywD-2yjqA:
undetectable		 3vywD-2yjqA:
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		5 / 12 ASP A  99
PHE A  62
ASP A 122
ARG A  77
HIS A  69
 None
None
None
None
ZN  A 152 ( 3.1A)
 1.40A 3welA-1xsoA:
undetectable		 3welA-1xsoA:
9.32
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		5 / 12 ASP A  99
PHE A  62
ASP A 122
ARG A  77
HIS A  69
 None
None
None
None
ZN  A 152 ( 3.1A)
 1.41A 3weoA-1xsoA:
2.4		 3weoA-1xsoA:
9.32
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.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 3wg7A-1oalA:
undetectable		 3wg7A-1oalA:
18.60
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.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.57A 3wg7A-1sxzA:
undetectable		 3wg7A-1sxzA:
13.23
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.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.43A 3wg7A-1xsoA:
undetectable		 3wg7A-1xsoA:
14.19
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.96A 3wg7A-1ndfA:
0.0
3wg7C-1ndfA:
1.3
3wg7P-1ndfA:
1.3		 3wg7A-1ndfA:
20.15
3wg7C-1ndfA:
17.22
3wg7P-1ndfA:
17.22
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.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 3wg7N-1oalA:
undetectable		 3wg7N-1oalA:
18.60
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.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 3wg7N-1sxzA:
undetectable		 3wg7N-1sxzA:
13.23
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.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.48A 3wg7N-1xsoA:
undetectable		 3wg7N-1xsoA:
14.19
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.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.95A 3wg7C-1ndfA:
1.3
3wg7N-1ndfA:
0.0
3wg7P-1ndfA:
1.3		 3wg7C-1ndfA:
17.22
3wg7N-1ndfA:
20.15
3wg7P-1ndfA:
17.22
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.
3WIP_D_ACHD301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3f4a UNCHARACTERIZED
PROTEIN YGR203W
(Saccharomyces
cerevisiae) 		4 / 8 TRP A  20
THR A  27
TRP A 119
ARG A  30
 SO4  A 152 (-4.2A)
SO4  A 152 (-4.2A)
None
None
 1.48A 3wipD-3f4aA:
undetectable
3wipE-3f4aA:
undetectable		 3wipD-3f4aA:
22.27
3wipE-3f4aA:
22.27
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.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 3x2qA-1oalA:
undetectable		 3x2qA-1oalA:
18.60
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.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 3x2qA-1sxzA:
undetectable		 3x2qA-1sxzA:
13.23
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.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 3x2qA-1xsoA:
undetectable		 3x2qA-1xsoA:
14.19
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.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.98A 3x2qA-1ndfA:
2.7
3x2qC-1ndfA:
1.3
3x2qP-1ndfA:
1.4		 3x2qA-1ndfA:
20.15
3x2qC-1ndfA:
17.22
3x2qP-1ndfA:
17.22
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.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.69A 3x2qN-1oalA:
undetectable		 3x2qN-1oalA:
18.60
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.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.65A 3x2qN-1sxzA:
undetectable		 3x2qN-1sxzA:
13.23
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.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 3x2qN-1xsoA:
undetectable		 3x2qN-1xsoA:
14.19
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.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.99A 3x2qC-1ndfA:
1.3
3x2qN-1ndfA:
0.5
3x2qP-1ndfA:
1.4		 3x2qC-1ndfA:
17.22
3x2qN-1ndfA:
20.15
3x2qP-1ndfA:
17.22
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		6 / 12 LEU A 167
MET A 278
GLY A 148
THR A 272
LEU A 147
GLY A 166
 None
None
None
None
GOL  A1520 (-4.5A)
None
 1.37A 3zbfA-4apmA:
undetectable		 3zbfA-4apmA:
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 11 GLN A 665
PHE A 152
GLY A 696
ALA A 215
GLY A 211
 GLN  A 665 ( 0.6A)
PHE  A 152 ( 1.3A)
GLY  A 696 ( 0.0A)
ALA  A 215 ( 0.0A)
GLY  A 211 ( 0.0A)
 1.24A 4a6nA-4flxA:
undetectable		 4a6nA-4flxA:
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2f06 CONSERVED
HYPOTHETICAL PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  90
LEU A  87
LEU A  83
ILE A  74
ILE A  97
 None
None
HIS  A 152 (-3.7A)
None
None
 0.95A 4a7aB-2f06A:
undetectable		 4a7aB-2f06A:
15.13
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 6 HIS A 382
HIS A 211
GLU A 503
ASP A 380
 FE  A1524 (-3.4A)
PO4  A1527 (-4.0A)
None
CA  A1525 ( 3.4A)
 1.26A 4blvA-2yeqA:
undetectable		 4blvA-2yeqA:
19.66
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 6 HIS A 510
HIS A 382
SER A 412
ASP A 151
 PO4  A1527 (-4.1A)
FE  A1524 (-3.4A)
FE  A1524 ( 4.0A)
CA  A1525 (-2.4A)
 1.10A 4blvA-2yeqA:
undetectable		 4blvA-2yeqA:
19.66
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		3 / 3 HIS A 211
GLU A 223
ASN A 511
 PO4  A1527 (-4.0A)
None
None
 1.03A 4bupB-2yeqA:
undetectable		 4bupB-2yeqA:
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		5 / 12 ASP A  76
HIS A  44
HIS A  61
ASP A 122
GLY A 136
 None
CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
None
None
 1.21A 4bz6A-1xsoA:
undetectable
4bz6B-1xsoA:
undetectable		 4bz6A-1xsoA:
18.67
4bz6B-1xsoA:
18.67
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.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		5 / 12 ALA A  93
SER A  32
VAL A  95
PHE A  43
HIS A 118
 None
None
None
None
CU  A 152 (-3.2A)
 1.25A 4c49A-1sxzA:
undetectable		 4c49A-1sxzA:
17.60
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.05A 4d7bB-2eyqA:
undetectable		 4d7bB-2eyqA:
7.79
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.
4DO3_B_0LAB602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 6 LEU A 196
LEU A 170
ILE A 247
MET A 148
 None
None
UDP  A1525 (-4.6A)
None
 0.95A 4do3B-2wzfA:
undetectable		 4do3B-2wzfA:
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.
4DO3_B_0LAB602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		 2wzg GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 6 LEU A 196
LEU A 170
ILE A 247
MET A 148
 None
None
UPG  A1525 (-4.6A)
None
 0.94A 4do3B-2wzgA:
undetectable		 4do3B-2wzgA:
21.43
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.80A 4dqbA-1wsvA:
undetectable		 4dqbA-1wsvA:
14.13
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 11 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.85A 4dqeA-1wsvA:
undetectable		 4dqeA-1wsvA:
14.13
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 4dqfA-1wsvA:
undetectable		 4dqfA-1wsvA:
14.13
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 11 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.77A 4dqhA-1wsvA:
undetectable		 4dqhA-1wsvA:
13.56
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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.24A 4e47A-4apmA:
undetectable		 4e47A-4apmA:
19.86
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.
4E47_B_SAMB800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.24A 4e47B-4apmA:
undetectable		 4e47B-4apmA:
19.86
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.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.27A 4e47C-4apmA:
undetectable		 4e47C-4apmA:
19.86
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.
4EAH_A_ACTA1001_0
(FORMIN-LIKE PROTEIN
3)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 4 VAL A 527
ASN A 526
ASN A 473
ARG A 534
 None
None
None
NAG  A1528 ( 4.8A)
 1.50A 4eahA-3m7pA:
undetectable
4eahE-3m7pA:
undetectable		 4eahA-3m7pA:
17.85
4eahE-3m7pA:
17.85
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.
4EAH_A_ACTA1003_0
(FORMIN-LIKE PROTEIN
3)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 5 ASN A 473
ARG A 534
VAL A 527
ASN A 526
 None
NAG  A1528 ( 4.8A)
None
None
 1.50A 4eahA-3m7pA:
undetectable
4eahE-3m7pA:
undetectable		 4eahA-3m7pA:
17.85
4eahE-3m7pA:
17.85
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.
4EAH_B_ACTB1001_0
(FORMIN-LIKE PROTEIN
3)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 4 VAL A 527
ASN A 526
ASN A 473
ARG A 534
 None
None
None
NAG  A1528 ( 4.8A)
 1.44A 4eahB-3m7pA:
undetectable
4eahC-3m7pA:
undetectable		 4eahB-3m7pA:
17.85
4eahC-3m7pA:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		7 / 7 ALA A 237
TYR A 238
ALA A 308
GLY A 309
ILE A 332
GLY A 333
ILE A 340
 BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-3.6A)
BEZ  A1529 ( 4.9A)
 0.24A 4eatA-2v7bA:
62.0		 4eatA-2v7bA:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		7 / 9 ALA A 237
TYR A 238
ALA A 308
GLY A 309
GLY A 333
HIS A 339
LYS A 520
 BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 (-2.9A)
 1.18A 4eatB-2v7bA:
62.1		 4eatB-2v7bA:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		8 / 9 ALA A 237
TYR A 238
ALA A 308
GLY A 309
ILE A 332
GLY A 333
HIS A 339
ILE A 340
 BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 ( 4.9A)
 0.27A 4eatB-2v7bA:
62.1		 4eatB-2v7bA:
60.56
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.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 8 ASP A 289
ASP A 380
GLU A 504
GLU A 223
 None
CA  A1525 ( 3.4A)
EDO  A 540 (-3.7A)
None
 1.10A 4feuD-2yeqA:
undetectable		 4feuD-2yeqA:
22.08
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 7 ASP A 289
ASP A 380
GLU A 504
GLU A 223
 None
CA  A1525 ( 3.4A)
EDO  A 540 (-3.7A)
None
 1.17A 4fevB-2yeqA:
undetectable		 4fevB-2yeqA:
22.08
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 7 ASP A 289
ASP A 380
GLU A 504
GLU A 223
 None
CA  A1525 ( 3.4A)
EDO  A 540 (-3.7A)
None
 1.22A 4fewB-2yeqA:
undetectable		 4fewB-2yeqA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 ASP B 288
SER B 289
SER B 290
ASN B 317
CYH B 345
MET B 428
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
IMP  B1527 (-3.3A)
None
IMP  B1527 ( 3.3A)
 0.86A 4fo4A-4af0B:
48.2		 4fo4A-4af0B:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 8 ASN B 317
GLY B 340
CYH B 345
GLY B 427
 MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-3.2A)
 0.82A 4fo4B-4af0B:
48.1		 4fo4B-4af0B:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 SER B 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
MET B 428
GLY B 429
 MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
None
IMP  B1527 ( 3.3A)
 0.37A 4fo4B-4af0B:
48.1		 4fo4B-4af0B:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 9 ASP B 288
SER B 289
SER B 290
GLY B 340
CYH B 345
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
 0.85A 4fxsA-4af0B:
51.3		 4fxsA-4af0B:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		6 / 9 SER B 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
ASP B 378
 MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-2.5A)
 0.47A 4fxsA-4af0B:
51.3		 4fxsA-4af0B:
37.78
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 8 ASP A 289
ASP A 380
GLU A 504
GLU A 223
 None
CA  A1525 ( 3.4A)
EDO  A 540 (-3.7A)
None
 1.20A 4gkhD-2yeqA:
undetectable		 4gkhD-2yeqA:
22.08
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  50
GLY A  51
GLY A  55
LEU A 180
VAL A 166
 FAD  A1524 (-3.4A)
FAD  A1524 ( 4.8A)
None
None
None
 0.97A 4htfA-2c3dA:
3.0		 4htfA-2c3dA:
21.36
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  50
GLY A  51
GLY A  55
LEU A 180
VAL A 166
 FAD  A1524 (-3.4A)
FAD  A1524 ( 4.8A)
None
None
None
 0.99A 4htfB-2c3dA:
2.3		 4htfB-2c3dA:
21.36
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.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.00A 4i89A-2eyqA:
undetectable		 4i89A-2eyqA:
8.25
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.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		6 / 10 LEU A  82
PHE A 103
VAL A 106
ILE A  38
THR A  40
THR A  73
 None
None
None
None
JLN  A1528 (-4.0A)
JLN  A1528 (-2.7A)
 1.17A 4j14A-4a1oA:
1.2		 4j14A-4a1oA:
22.30
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.25A 4jdsA-4apmA:
undetectable		 4jdsA-4apmA:
19.86
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.
4JDS_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.27A 4jdsB-4apmA:
undetectable		 4jdsB-4apmA:
19.86
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.
4JDS_C_SAMC401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.26A 4jdsC-4apmA:
undetectable		 4jdsC-4apmA:
19.86
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.
4JEC_B_478B401_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.78A 4jecA-1wsvA:
undetectable		 4jecA-1wsvA:
14.93
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 8 ASN A 455
ALA A 452
PRO A 450
LEU A 316
 None
None
BGC  A1526 (-4.5A)
None
 0.77A 4jjkA-2wzfA:
2.4		 4jjkA-2wzfA:
23.19
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 2wzg GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 8 ASN A 455
ALA A 452
PRO A 450
LEU A 316
 None
None
UPG  A1525 (-4.9A)
None
 0.84A 4jjkA-2wzgA:
4.0		 4jjkA-2wzgA:
22.82
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.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 2hx5 HYPOTHETICAL PROTEIN
(Prochlorococcus
marinus) 		5 / 12 ILE A 117
ILE A 136
PRO A 133
LEU A  41
VAL A 101
 None
None
None
ETX  A 152 ( 4.1A)
None
 1.07A 4kfjB-2hx5A:
undetectable		 4kfjB-2hx5A:
22.67
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2jgp TYROCIDINE
SYNTHETASE 3
(Brevibacillus
brevis) 		4 / 7 PHE A 373
ASP A 228
SER A 231
SER A 151
 None
SO4  A1523 (-4.9A)
None
None
 1.27A 4lv9A-2jgpA:
undetectable
4lv9B-2jgpA:
undetectable		 4lv9A-2jgpA:
23.56
4lv9B-2jgpA:
23.56
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.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)		 4d3y LEGUMAIN
(Cricetulus
griseus) 		3 / 3 PRO A 316
ASN A  47
HIS A 153
 None
None
SNN  A 152 ( 3.5A)
 1.03A 4ma3H-4d3yA:
undetectable
4ma3L-4d3yA:
undetectable		 4ma3H-4d3yA:
18.63
4ma3L-4d3yA:
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 3hv2 RESPONSE
REGULATOR/HD DOMAIN
PROTEIN
(Pseudomonas
protegens) 		4 / 5 TYR A  37
THR A  91
LEU A  89
THR A  86
 None
SO4  A 152 (-3.4A)
None
None
 1.46A 4mbsB-3hv2A:
undetectable		 4mbsB-3hv2A:
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		4 / 8 PRO A 154
SER A 131
VAL A 152
GLY A 158
 PRO  A 154 (-1.1A)
SER  A 131 (-0.0A)
VAL  A 152 ( 0.6A)
GLY  A 158 ( 0.0A)
 0.96A 4mk4A-3ulkA:
2.9		 4mk4A-3ulkA:
21.44
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.
4MWX_A_ZMRA513_2
(NEURAMINIDASE)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		3 / 3 ARG A  66
TRP A  72
ILE A  48
 None
GAL  A 152 (-3.8A)
None
 1.01A 4mwxA-1uleA:
undetectable		 4mwxA-1uleA:
14.81
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 2ux0 CALCIUM-CALMODULIN
DEPENDENT PROTEIN
KINASE (CAM KINASE)
II GAMMA
(Homo
sapiens) 		4 / 7 HIS A 444
TYR A 516
ASN A 411
ARG A 502
 GLY  A1521 (-3.9A)
None
None
None
 1.14A 4o7gA-2ux0A:
undetectable
4o7gB-2ux0A:
undetectable		 4o7gA-2ux0A:
21.65
4o7gB-2ux0A:
21.65
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 2ux0 CALCIUM-CALMODULIN
DEPENDENT PROTEIN
KINASE (CAM KINASE)
II GAMMA
(Homo
sapiens) 		4 / 7 PHE A 448
HIS A 444
TYR A 516
ARG A 502
 None
GLY  A1521 (-3.9A)
None
None
 1.34A 4o7gA-2ux0A:
undetectable
4o7gB-2ux0A:
undetectable		 4o7gA-2ux0A:
21.65
4o7gB-2ux0A:
21.65
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.
4ODO_A_FK5A205_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 2v9k UNCHARACTERIZED
PROTEIN FLJ32312
(Homo
sapiens) 		4 / 4 THR A 444
ARG A 447
GLU A 488
VAL A 448
 None
CL  A1529 (-3.8A)
CL  A1529 ( 4.9A)
None
 1.36A 4odoC-2v9kA:
0.0		 4odoC-2v9kA:
14.58
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.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 4a20 UBIQUITIN-LIKE
PROTEIN MDY2
(Saccharomyces
cerevisiae) 		5 / 12 LEU A  99
ASP A 128
LEU A 119
LEU A 105
ILE A 106
 None
SO4  A1152 (-3.4A)
None
None
None
 0.98A 4odrA-4a20A:
undetectable
4odrB-4a20A:
undetectable		 4odrA-4a20A:
17.76
4odrB-4a20A:
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 4a20 UBIQUITIN-LIKE
PROTEIN MDY2
(Saccharomyces
cerevisiae) 		5 / 11 LEU A  99
ASP A 128
LEU A 119
LEU A 105
ILE A 106
 None
SO4  A1152 (-3.4A)
None
None
None
 1.07A 4odrA-4a20A:
undetectable
4odrB-4a20A:
undetectable		 4odrA-4a20A:
17.76
4odrB-4a20A:
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 4a20 UBIQUITIN-LIKE
PROTEIN MDY2
(Saccharomyces
cerevisiae) 		5 / 12 THR A  97
HIS A 127
ASP A 128
SER A  93
ASN A 129
 None
SO4  A1152 (-3.8A)
SO4  A1152 (-3.4A)
None
None
 1.36A 4pooA-4a20A:
undetectable		 4pooA-4a20A:
20.11
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.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 6 LEU A 939
THR A 882
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
None
EPE  A1152 (-2.8A)
 1.36A 4pwjA-2eyqA:
undetectable		 4pwjA-2eyqA:
8.85
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.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 7 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.00A 4pwjB-2eyqA:
undetectable		 4pwjB-2eyqA:
8.85
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 2yjq CEL44C
(Paenibacillus
polymyxa) 		5 / 12 LEU A 242
VAL A 203
PRO A 188
SER A 358
GLY A  46
 None
None
CL  A1527 (-3.8A)
OXZ  A1518 ( 4.3A)
None
 1.36A 4q15A-2yjqA:
undetectable		 4q15A-2yjqA:
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.
4QGI_A_ROCA101_2
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 11 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.89A 4qgiB-1wsvA:
undetectable		 4qgiB-1wsvA:
14.40
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.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2v9u MSPA
(Mycolicibacteriu
m
smegmatis) 		4 / 8 THR A 152
GLY A 156
GLY A 157
VAL A 158
 THR  A 152 ( 0.8A)
GLY  A 156 ( 0.0A)
GLY  A 157 ( 0.0A)
VAL  A 158 ( 0.6A)
 0.74A 4qvvK-2v9uA:
undetectable
4qvvL-2v9uA:
undetectable		 4qvvK-2v9uA:
22.86
4qvvL-2v9uA:
20.80
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.
4QVV_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2v9u MSPA
(Mycolicibacteriu
m
smegmatis) 		4 / 8 THR A 152
GLY A 156
GLY A 157
VAL A 158
 THR  A 152 ( 0.8A)
GLY  A 156 ( 0.0A)
GLY  A 157 ( 0.0A)
VAL  A 158 ( 0.6A)
 0.73A 4qvvY-2v9uA:
undetectable
4qvvZ-2v9uA:
undetectable		 4qvvY-2v9uA:
22.86
4qvvZ-2v9uA:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		11 / 12 PHE A  16
MET A  20
GLN A  38
LYS A  40
THR A  51
THR A  53
ARG A  58
LEU A  77
TRP A 106
LEU A 117
LEU A 119
 None
None
None
None
None
None
SO4  A 152 (-3.1A)
None
None
None
None
 0.77A 4qynB-2rcqA:
26.3		 4qynB-2rcqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		8 / 12 PHE A  16
GLN A  38
LYS A  40
THR A  51
ARG A  58
LEU A  77
TRP A 106
LEU A 119
 None
None
None
None
SO4  A 152 (-3.1A)
None
None
None
 0.86A 4qztC-2rcqA:
26.5		 4qztC-2rcqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		10 / 12 PHE A  16
GLN A  38
LYS A  40
THR A  51
THR A  53
ARG A  58
VAL A  62
LEU A  77
TRP A 106
LEU A 119
 None
None
None
None
None
SO4  A 152 (-3.1A)
None
None
None
None
 0.77A 4qzuA-2rcqA:
26.6		 4qzuA-2rcqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QZU_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 ALA A  33
GLN A  38
LYS A  40
THR A  53
ARG A  58
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
 1.03A 4qzuB-2rcqA:
26.1		 4qzuB-2rcqA:
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.
4QZU_C_RTLC201_1
(RETINOL-BINDING
PROTEIN 2)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		3 / 3 LYS A 196
TRP A 249
GLN A 144
 None
SGN  A1522 (-4.2A)
None
 1.27A 4qzuC-5g2vA:
undetectable		 4qzuC-5g2vA:
13.10
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 9 ALA A 453
ILE A 513
GLY A 518
ALA A 562
VAL A 478
 None
SO4  A2152 (-4.4A)
None
None
None
 1.10A 4r1zA-2ya1A:
undetectable		 4r1zA-2ya1A:
19.78
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 1uy4 ENDO-1,4-BETA-XYLANA
SE A
([Clostridium]
stercorarium) 		5 / 9 PHE A 141
ILE A  84
VAL A 129
GLY A  97
THR A  94
 None
None
None
None
GOL  A1152 (-3.7A)
 1.17A 4r20B-1uy4A:
undetectable		 4r20B-1uy4A:
15.65
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ALA A  19
GLY A  53
ILE A  86
ALA A  87
GLU A 185
 ATP  A1527 (-4.0A)
None
None
ATP  A1527 ( 4.3A)
ATP  A1527 (-3.4A)
 1.11A 4r29D-2z02A:
undetectable		 4r29D-2z02A:
22.18
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.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2jgp TYROCIDINE
SYNTHETASE 3
(Brevibacillus
brevis) 		5 / 10 THR A 220
ILE A 226
LEU A 236
VAL A 230
MET A 123
 DIO  A1525 ( 3.8A)
None
DIO  A1525 ( 3.8A)
None
None
 1.17A 4r3aB-2jgpA:
undetectable		 4r3aB-2jgpA:
22.12
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		4 / 8 PHE A 102
SER A 104
ALA A 155
LEU A 152
 PHE  A 102 ( 1.3A)
SER  A 104 ( 0.0A)
ALA  A 155 ( 0.0A)
LEU  A 152 ( 0.6A)
 1.02A 4rkuA-1c8xA:
undetectable
4rkuJ-1c8xA:
0.0		 4rkuA-1c8xA:
16.15
4rkuJ-1c8xA:
13.02
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.
4UCI_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 4 SER A  60
ASP A 198
ASP A 135
ASP A 203
 None
ATP  A1527 (-4.3A)
None
None
 1.40A 4uciA-2z02A:
undetectable		 4uciA-2z02A:
20.44
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.
4W5O_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.43A 4w5oA-1oahA:
0.0		 4w5oA-1oahA:
19.70
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.11A 4w5qA-4cxkA:
undetectable		 4w5qA-4cxkA:
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.
4W5R_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.44A 4w5rA-1oahA:
0.0		 4w5rA-1oahA:
19.70
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.05A 4w5rA-4cxkA:
undetectable		 4w5rA-4cxkA:
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.
4W5T_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.40A 4w5tA-1oahA:
0.0		 4w5tA-1oahA:
19.70
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.08A 4w5tA-4cxkA:
undetectable		 4w5tA-4cxkA:
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 478
LEU A 482
ALA A 471
ASP A 470
SER A 469
 None
None
None
K  A1524 (-3.6A)
None
 1.03A 4wnuC-4a1oA:
undetectable		 4wnuC-4a1oA:
22.66
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 478
LEU A 482
ASP A 470
VAL A 490
VAL A 440
 None
None
K  A1524 (-3.6A)
None
None
 1.00A 4wnwA-4a1oA:
undetectable		 4wnwA-4a1oA:
22.66
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 478
LEU A 482
ALA A 471
ASP A 470
VAL A 490
 None
None
None
K  A1524 (-3.6A)
None
 0.94A 4wnwB-4a1oA:
undetectable		 4wnwB-4a1oA:
22.66
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 478
LEU A 482
ASP A 470
VAL A 490
VAL A 440
 None
None
K  A1524 (-3.6A)
None
None
 1.06A 4wnwB-4a1oA:
undetectable		 4wnwB-4a1oA:
22.66
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		3 / 3 LYS A 186
ARG A 152
VAL A 174
 ASN  A 186 ( 0.0A)
ARG  A 152 ( 0.6A)
VAL  A 174 ( 0.6A)
 0.88A 4x3uA-5d7aA:
undetectable
4x3uB-5d7aA:
undetectable		 4x3uA-5d7aA:
10.97
4x3uB-5d7aA:
10.97
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 THR A 406
ALA A 479
TRP A 463
LEU A 425
PRO A 359
 EDO  A1522 ( 4.1A)
None
None
None
None
 1.14A 4xi3A-4akoA:
undetectable		 4xi3A-4akoA:
20.04
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		4 / 5 LEU A 286
GLU A 306
LEU A 215
HIS A 260
 CYC  A1521 ( 4.9A)
None
None
CYC  A1521 (-3.4A)
 1.12A 4xi3B-2veaA:
undetectable		 4xi3B-2veaA:
18.63
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 THR A 406
ALA A 479
TRP A 463
LEU A 425
PRO A 359
 EDO  A1522 ( 4.1A)
None
None
None
None
 1.10A 4xi3D-4akoA:
undetectable		 4xi3D-4akoA:
20.04
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		4 / 7 PHE A 102
SER A 104
ALA A 155
LEU A 152
 PHE  A 102 ( 1.3A)
SER  A 104 ( 0.0A)
ALA  A 155 ( 0.0A)
LEU  A 152 ( 0.6A)
 1.09A 4xk8A-1c8xA:
undetectable		 4xk8A-1c8xA:
16.76
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.
4Z4C_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.39A 4z4cA-1oahA:
undetectable		 4z4cA-1oahA:
19.70
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.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 1od3 PUTATIVE XYLANASE
([Clostridium]
stercorarium) 		4 / 5 PHE A 135
PRO A 138
VAL A 139
PHE A 112
 None
BGC  A1152 (-4.4A)
None
BGC  A1151 (-3.9A)
 1.17A 4z4cA-1od3A:
undetectable		 4z4cA-1od3A:
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.07A 4z4cA-4cxkA:
undetectable		 4z4cA-4cxkA:
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.
4Z4D_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.41A 4z4dA-1oahA:
undetectable		 4z4dA-1oahA:
19.70
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.
4Z4E_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.40A 4z4eA-1oahA:
0.0		 4z4eA-1oahA:
19.70
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.10A 4z4fA-4cxkA:
undetectable		 4z4fA-4cxkA:
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.
4Z4H_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.36A 4z4hA-1oahA:
undetectable		 4z4hA-1oahA:
19.70
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.
4Z4I_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.34A 4z4iA-1oahA:
0.0		 4z4iA-1oahA:
19.70
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.10A 4z4iA-4cxkA:
undetectable		 4z4iA-4cxkA:
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.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 7 PHE A 236
GLY A 309
THR A 335
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-2.9A)
 0.78A 4zxiA-2v7bA:
41.7		 4zxiA-2v7bA:
18.33
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.
5A06_A_SORA1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		4 / 7 ARG A 472
ARG A 172
TYR A 203
TYR A 263
 None
None
CYC  A1521 (-3.9A)
CYC  A1521 (-3.9A)
 1.46A 5a06A-2veaA:
undetectable		 5a06A-2veaA:
21.61
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.
5A06_A_SORA1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 5 GLU A 199
LYS A  20
ASP A 198
GLU A 185
 None
ATP  A1527 (-2.7A)
ATP  A1527 (-4.3A)
ATP  A1527 (-3.4A)
 1.38A 5a06A-2z02A:
undetectable		 5a06A-2z02A:
21.74
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.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		4 / 7 ARG A 472
ARG A 172
TYR A 203
TYR A 263
 None
None
CYC  A1521 (-3.9A)
CYC  A1521 (-3.9A)
 1.48A 5a06C-2veaA:
undetectable		 5a06C-2veaA:
21.61
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.29A 5ayfA-4apmA:
undetectable		 5ayfA-4apmA:
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.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 5b1aA-1oalA:
undetectable		 5b1aA-1oalA:
18.60
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.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 5b1aA-1sxzA:
undetectable		 5b1aA-1sxzA:
13.23
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.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.44A 5b1aA-1xsoA:
undetectable		 5b1aA-1xsoA:
14.19
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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.97A 5b1aA-1ndfA:
0.2
5b1aC-1ndfA:
1.0
5b1aP-1ndfA:
1.3		 5b1aA-1ndfA:
20.15
5b1aC-1ndfA:
17.22
5b1aP-1ndfA:
17.22
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.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 5b1aN-1oalA:
undetectable		 5b1aN-1oalA:
18.60
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.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 5b1aN-1sxzA:
undetectable		 5b1aN-1sxzA:
13.23
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.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 5b1aN-1xsoA:
undetectable		 5b1aN-1xsoA:
14.19
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.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 5b1bA-1oalA:
undetectable		 5b1bA-1oalA:
18.60
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.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 5b1bA-1sxzA:
undetectable		 5b1bA-1sxzA:
13.23
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.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 5b1bA-1xsoA:
undetectable		 5b1bA-1xsoA:
14.19
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.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.12A 5b1bA-1ndfA:
undetectable
5b1bC-1ndfA:
1.3
5b1bP-1ndfA:
1.3		 5b1bA-1ndfA:
20.15
5b1bC-1ndfA:
17.22
5b1bP-1ndfA:
17.22
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.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 5b1bN-1oalA:
undetectable		 5b1bN-1oalA:
18.60
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.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 5b1bN-1sxzA:
undetectable		 5b1bN-1sxzA:
13.23
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.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 5b1bN-1xsoA:
undetectable		 5b1bN-1xsoA:
14.19
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.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 5b3sA-1oalA:
undetectable		 5b3sA-1oalA:
18.60
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.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 5b3sA-1sxzA:
undetectable		 5b3sA-1sxzA:
13.23
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.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 5b3sA-1xsoA:
undetectable		 5b3sA-1xsoA:
14.19
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.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.95A 5b3sA-1ndfA:
0.3
5b3sC-1ndfA:
1.4
5b3sP-1ndfA:
1.3		 5b3sA-1ndfA:
20.15
5b3sC-1ndfA:
17.22
5b3sP-1ndfA:
17.22
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.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 5b3sN-1oalA:
undetectable		 5b3sN-1oalA:
18.60
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.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 5b3sN-1sxzA:
undetectable		 5b3sN-1sxzA:
13.23
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.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 5b3sN-1xsoA:
undetectable		 5b3sN-1xsoA:
14.19
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.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.96A 5bojA-2eyqA:
undetectable		 5bojA-2eyqA:
8.05
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.
5BOJ_B_4TXB201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 7 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.99A 5bojB-2eyqA:
undetectable		 5bojB-2eyqA:
8.05
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A  38
ASP A  37
TYR A 150
ILE A 172
 CA  A1521 ( 2.8A)
CA  A1521 ( 3.2A)
None
None
 1.02A 5cfsA-5g2vA:
undetectable		 5cfsA-5g2vA:
16.51
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.
5CSW_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		3 / 3 PHE A 231
ILE A 155
ASP A 227
 None
NDP  A1523 (-4.5A)
None
 0.76A 5cswB-2vroA:
undetectable		 5cswB-2vroA:
19.50
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.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		5 / 12 PHE A 169
LEU A 152
ILE A 120
PHE A  71
TYR A 179
 PHE  A 169 ( 1.3A)
LEU  A 152 ( 0.6A)
ILE  A 120 ( 0.7A)
PHE  A  71 ( 1.3A)
TYR  A 179 ( 1.3A)
 1.44A 5dlvA-4rhyA:
undetectable		 5dlvA-4rhyA:
13.11
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		4 / 8 SER A 272
ALA A 271
LEU A 264
LEU A 261
 CYC  A1521 ( 3.7A)
None
None
None
 1.05A 5dzkd-2veaA:
undetectable
5dzkr-2veaA:
undetectable		 5dzkd-2veaA:
18.41
5dzkr-2veaA:
3.28
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3js9 NUCLEOSIDE
DIPHOSPHATE KINASE
FAMILY PROTEIN
(Babesia
bovis) 		4 / 8 SER A 117
ALA A 123
HIS A 115
LEU A 129
 None
None
SO4  A 152 (-4.0A)
None
 1.19A 5dzkd-3js9A:
undetectable
5dzkr-3js9A:
undetectable		 5dzkd-3js9A:
19.81
5dzkr-3js9A:
5.26
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E
(Mus
musculus) 		4 / 6 THR A 452
ALA A 442
THR A 441
VAL A 455
 152  A 613 (-2.7A)
None
152  A 613 (-2.8A)
None
 0.97A 5ecoA-1xl8A:
2.3		 5ecoA-1xl8A:
23.68
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.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		5 / 12 GLY A 104
THR A 108
TRP A 163
CYH A 296
THR A 297
 ETE  A1524 (-3.5A)
None
ETE  A1524 (-3.9A)
None
ETE  A1524 ( 4.1A)
 1.11A 5fhzA-2vroA:
42.3		 5fhzA-2vroA:
25.96
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.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		6 / 12 GLY A 104
ASN A 159
TRP A 163
GLU A 257
CYH A 296
THR A 297
 ETE  A1524 (-3.5A)
None
ETE  A1524 (-3.9A)
None
None
ETE  A1524 ( 4.1A)
 1.21A 5fhzD-2vroA:
41.3		 5fhzD-2vroA:
25.96
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.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 2vro ALDEHYDE
DEHYDROGENASE
(Paraburkholderia
xenovorans) 		5 / 12 GLY A 105
ASN A 159
GLU A 257
CYH A 296
THR A 297
 None
None
None
None
ETE  A1524 ( 4.1A)
 1.18A 5fhzD-2vroA:
41.3		 5fhzD-2vroA:
25.96
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  54
GLY A  51
SER A  59
GLY A 183
LEU A 341
 FAD  A1524 (-3.4A)
FAD  A1524 ( 4.8A)
None
FAD  A1524 ( 3.7A)
None
 1.06A 5gwxA-2c3dA:
3.0		 5gwxA-2c3dA:
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  51
GLY A  58
SER A  59
GLY A 183
LEU A 341
 FAD  A1524 ( 4.8A)
None
None
FAD  A1524 ( 3.7A)
None
 0.88A 5gwxA-2c3dA:
3.0		 5gwxA-2c3dA:
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 266
ASN A 201
ASP A  38
 SGN  A1522 (-2.9A)
None
CA  A1521 ( 2.8A)
 0.88A 5gwxA-5g2vA:
undetectable		 5gwxA-5g2vA:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 PHE A  16
TYR A  19
ALA A  33
SER A  55
ARG A  58
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
 0.80A 5hbsA-2rcqA:
24.0		 5hbsA-2rcqA:
51.77
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 ILE A 228
GLY A 227
PHE A 152
PHE A 214
 ILE  A 228 ( 0.7A)
GLY  A 227 ( 0.0A)
PHE  A 152 ( 1.3A)
PHE  A 214 ( 1.3A)
 0.94A 5hieD-4flxA:
undetectable		 5hieD-4flxA:
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.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 5iy5A-1oalA:
undetectable		 5iy5A-1oalA:
18.60
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.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 5iy5A-1sxzA:
undetectable		 5iy5A-1sxzA:
13.23
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.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 5iy5A-1xsoA:
undetectable		 5iy5A-1xsoA:
14.19
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.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 5iy5N-1oalA:
undetectable		 5iy5N-1oalA:
18.60
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.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 5iy5N-1sxzA:
undetectable		 5iy5N-1sxzA:
13.23
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.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 5iy5N-1xsoA:
undetectable		 5iy5N-1xsoA:
14.19
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.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.98A 5iy5C-1ndfA:
1.3
5iy5N-1ndfA:
0.2
5iy5P-1ndfA:
1.3		 5iy5C-1ndfA:
17.59
5iy5N-1ndfA:
20.15
5iy5P-1ndfA:
17.59
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 LEU B  84
ILE B 376
GLY B 379
ILE B 337
ALA B 360
 None
None
IMP  B1527 (-3.5A)
None
None
 1.34A 5j7wC-4af0B:
undetectable		 5j7wC-4af0B:
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  82
THR A  73
GLY A  81
PHE A 103
LEU A  14
 None
JLN  A1528 (-2.7A)
None
None
None
 1.33A 5jo9A-4a1oA:
4.4		 5jo9A-4a1oA:
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.
5JS1_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.45A 5js1A-1oahA:
undetectable		 5js1A-1oahA:
19.70
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 LYS A 155
ASP A 152
ILE A 161
 LYS  A 155 ( 0.0A)
ASP  A 152 ( 0.6A)
ILE  A 161 ( 0.7A)
 0.87A 5kc4E-1wqaA:
0.0		 5kc4E-1wqaA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		 3s2w TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY
(Methanosarcina
mazei) 		4 / 5 ILE A  25
LEU A 153
GLY A 152
PHE A 149
 ILE  A  25 ( 0.7A)
LEU  A 153 ( 0.6A)
GLY  A 152 ( 0.0A)
PHE  A 149 ( 1.3A)
 0.90A 5kmdC-3s2wA:
undetectable
5kmdD-3s2wA:
2.3		 5kmdC-3s2wA:
17.02
5kmdD-3s2wA:
17.02
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.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.89A 5kqyA-1wsvA:
undetectable		 5kqyA-1wsvA:
14.67
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		6 / 12 GLY A  55
GLY A  51
GLN A 143
SER A 144
LEU A 148
ALA A  60
 None
FAD  A1524 ( 4.8A)
None
None
None
None
 1.31A 5l0zA-2c3dA:
4.2		 5l0zA-2c3dA:
21.56
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 7 SER A 519
PRO A 522
TYR A 440
SER A 229
 UDP  A1525 (-2.8A)
None
None
UDP  A1525 (-2.8A)
 1.22A 5l1fC-2wzfA:
2.2		 5l1fC-2wzfA:
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.97A 5l4iA-2eyqA:
undetectable		 5l4iA-2eyqA:
8.05
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.99A 5l4iB-2eyqA:
undetectable		 5l4iB-2eyqA:
8.05
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.
5L66_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		5 / 10 ALA A 455
THR A 465
GLY A 513
ALA A 515
ASP A 517
 None
152  A5001 (-2.8A)
None
None
None
 1.46A 5l66K-1ndfA:
undetectable
5l66L-1ndfA:
undetectable		 5l66K-1ndfA:
17.76
5l66L-1ndfA:
15.68
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.
5L66_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		5 / 10 ALA A 455
THR A 465
GLY A 513
ALA A 515
ASP A 517
 None
152  A5001 (-2.8A)
None
None
None
 1.46A 5l66Y-1ndfA:
undetectable
5l66Z-1ndfA:
undetectable		 5l66Y-1ndfA:
17.76
5l66Z-1ndfA:
15.68
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.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4cxk ARYLSULFATASE
(Pseudomonas
aeruginosa) 		4 / 9 PHE A 314
VAL A 407
THR A  54
ASN A 318
 None
None
DDZ  A  51 ( 4.4A)
CA  A1528 (-2.7A)
 1.07A 5lg3I-4cxkA:
undetectable		 5lg3I-4cxkA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 PHE A  16
TYR A  19
ALA A  33
SER A  55
ARG A  58
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
 0.91A 5ljbA-2rcqA:
23.9		 5ljbA-2rcqA:
53.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 PHE A  16
TYR A  19
SER A  55
PHE A  57
ARG A  58
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
 0.93A 5ljbA-2rcqA:
23.9		 5ljbA-2rcqA:
53.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 PHE A  16
TYR A  19
ALA A  33
SER A  55
ARG A  58
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
 0.91A 5ljcA-2rcqA:
23.9		 5ljcA-2rcqA:
52.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 2rcq RETINOL-BINDING
PROTEIN II, CELLULAR
(Homo
sapiens) 		6 / 12 PHE A  16
TYR A  19
SER A  55
PHE A  57
ARG A  58
LEU A 117
 None
None
None
None
SO4  A 152 (-3.1A)
None
 0.89A 5ljcA-2rcqA:
23.9		 5ljcA-2rcqA:
52.86
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3r3c 4-HYDROXYBENZOYL-COA
THIOESTERASE
(Arthrobacter
sp.) 		5 / 12 ALA A 111
LEU A  75
MET A  74
SER A 140
GLY A  13
 None
None
4CO  A 152 (-4.2A)
None
None
 1.10A 5m24A-3r3cA:
undetectable		 5m24A-3r3cA:
21.07
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		5 / 12 ASP A 350
HIS A 510
THR A 411
GLN A 125
GLY A 379
 None
PO4  A1527 (-4.1A)
None
None
None
 1.28A 5m54E-2yeqA:
undetectable		 5m54E-2yeqA:
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.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
GLN A  48
ASP A  91
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
None
ZN  A 152 (-2.2A)
None
CU  A 153 (-3.1A)
 1.36A 5m66C-1oalA:
undetectable		 5m66C-1oalA:
15.60
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.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
GLN A  48
ASP A  91
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
None
ZN  A 152 (-2.2A)
None
CU  A 153 (-3.1A)
 1.36A 5m66D-1oalA:
undetectable		 5m66D-1oalA:
15.60
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.
5MRA_B_DM2B204_1
(SORCIN)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		4 / 6 PHE A  57
ARG A  56
ASP A  73
GLY A  50
 COM  A1525 (-4.4A)
COM  A1525 (-3.6A)
FAD  A1524 (-2.7A)
FAD  A1524 (-3.4A)
 1.13A 5mraA-2c3dA:
undetectable
5mraB-2c3dA:
undetectable		 5mraA-2c3dA:
15.24
5mraB-2c3dA:
15.24
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.
5MVM_B_PFLB510_1
(PROTON-GATED ION
CHANNEL)		 3hv2 RESPONSE
REGULATOR/HD DOMAIN
PROTEIN
(Pseudomonas
protegens) 		4 / 6 ILE A  24
ALA A  63
LEU A  90
ILE A  61
 None
SO4  A 152 (-3.2A)
None
None
 0.77A 5mvmB-3hv2A:
undetectable
5mvmC-3hv2A:
undetectable		 5mvmB-3hv2A:
16.11
5mvmC-3hv2A:
16.11
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.
5N1T_W_CUW201_0
(COPC)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  70
ASP A  91
HIS A  79
 ZN  A 152 ( 3.1A)
ZN  A 152 (-2.2A)
ZN  A 152 (-3.1A)
 0.66A 5n1tW-1oalA:
1.8		 5n1tW-1oalA:
22.10
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.
5N1T_W_CUW201_0
(COPC)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  61
ASP A  81
HIS A  69
 ZN  A 152 (-3.1A)
ZN  A 152 ( 2.2A)
ZN  A 152 ( 3.1A)
 0.85A 5n1tW-1xsoA:
undetectable		 5n1tW-1xsoA:
22.73
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 7 PHE A 236
GLY A 333
HIS A 339
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 (-2.9A)
 0.92A 5n9xA-2v7bA:
43.8		 5n9xA-2v7bA:
28.60
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 2jgp TYROCIDINE
SYNTHETASE 3
(Brevibacillus
brevis) 		4 / 6 LEU A  66
PHE A  36
ASP A  35
HIS A  42
 None
None
None
SO4  A1524 (-3.6A)
 0.90A 5om3A-2jgpA:
undetectable
5om3B-2jgpA:
undetectable		 5om3A-2jgpA:
9.78
5om3B-2jgpA:
5.72
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.
5SXQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		4 / 8 GLU A 312
VAL A 339
GLY A 271
LEU A 267
 None
None
EDO  A1528 (-3.3A)
EDO  A1528 ( 4.8A)
 1.03A 5sxqB-4akoA:
undetectable		 5sxqB-4akoA:
20.83
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		4 / 8 GLU A 312
VAL A 339
GLY A 271
LEU A 267
 None
None
EDO  A1528 (-3.3A)
EDO  A1528 ( 4.8A)
 1.00A 5sxtA-4akoA:
undetectable		 5sxtA-4akoA:
20.83
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		4 / 8 GLU A 312
VAL A 339
GLY A 271
LEU A 267
 None
None
EDO  A1528 (-3.3A)
EDO  A1528 ( 4.8A)
 1.00A 5sxtB-4akoA:
undetectable		 5sxtB-4akoA:
20.83
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		4 / 8 GLU A 312
VAL A 339
GLY A 271
LEU A 267
 None
None
EDO  A1528 (-3.3A)
EDO  A1528 ( 4.8A)
 1.05A 5syjA-4akoA:
undetectable		 5syjA-4akoA:
20.83
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.
5T0K_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.21A 5t0kA-4akoA:
undetectable		 5t0kA-4akoA:
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.
5T0M_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.23A 5t0mB-4akoA:
undetectable		 5t0mB-4akoA:
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.
5TTF_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.27A 5ttfB-4akoA:
undetectable		 5ttfB-4akoA:
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.
5TUY_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.24A 5tuyB-4akoA:
undetectable		 5tuyB-4akoA:
18.83
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.
5VSC_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.26A 5vscA-4akoA:
undetectable		 5vscA-4akoA:
20.21
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.
5VSC_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.29A 5vscB-4akoA:
undetectable		 5vscB-4akoA:
20.21
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.
5VSE_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.25A 5vseA-4akoA:
undetectable		 5vseA-4akoA:
20.21
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.
5VSE_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 4ako SPORE COAT PROTEIN A
(Bacillus
subtilis) 		5 / 12 GLY A 204
TYR A 165
HIS A  37
PHE A  55
GLN A  38
 None
None
EDO  A1523 (-3.8A)
None
None
 1.28A 5vseB-4akoA:
undetectable		 5vseB-4akoA:
20.21
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		4 / 8 GLY A  58
CYH A 369
GLY A 368
ALA A 364
 None
None
None
FAD  A1524 (-3.6A)
 0.74A 5vw5A-2c3dA:
undetectable		 5vw5A-2c3dA:
20.42
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.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.70A 5w97a-1oalA:
undetectable		 5w97a-1oalA:
18.60
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.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.66A 5w97a-1sxzA:
undetectable		 5w97a-1sxzA:
13.23
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.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.54A 5w97a-1xsoA:
undetectable		 5w97a-1xsoA:
14.19
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.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.90A 5w97A-1ndfA:
undetectable
5w97C-1ndfA:
1.4
5w97c-1ndfA:
1.4		 5w97A-1ndfA:
20.15
5w97C-1ndfA:
17.22
5w97c-1ndfA:
17.22
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.95A 5w97C-1ndfA:
1.4
5w97a-1ndfA:
undetectable
5w97c-1ndfA:
1.4		 5w97C-1ndfA:
17.22
5w97a-1ndfA:
20.15
5w97c-1ndfA:
17.22
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.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 5waua-1oalA:
undetectable		 5waua-1oalA:
18.60
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.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.62A 5waua-1sxzA:
undetectable		 5waua-1sxzA:
13.23
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.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 5waua-1xsoA:
undetectable		 5waua-1xsoA:
14.19
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.96A 5wauA-1ndfA:
0.2
5wauC-1ndfA:
1.3
5wauc-1ndfA:
1.3		 5wauA-1ndfA:
20.15
5wauC-1ndfA:
17.22
5wauc-1ndfA:
17.22
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.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.97A 5wauC-1ndfA:
1.3
5waua-1ndfA:
0.2
5wauc-1ndfA:
1.3		 5wauC-1ndfA:
17.22
5waua-1ndfA:
20.15
5wauc-1ndfA:
17.22
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		4 / 5 LEU A 139
LYS A 501
LEU A 418
GLU A 415
 None
ADP  A1528 ( 4.3A)
None
None
 1.20A 5weaA-1q3sA:
2.8		 5weaA-1q3sA:
21.91
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 5x19A-1oalA:
undetectable		 5x19A-1oalA:
18.60
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 5x19A-1sxzA:
undetectable		 5x19A-1sxzA:
13.23
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 5x19A-1xsoA:
undetectable		 5x19A-1xsoA:
14.19
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.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.02A 5x19A-1ndfA:
0.0
5x19C-1ndfA:
1.3
5x19P-1ndfA:
1.4		 5x19A-1ndfA:
20.15
5x19C-1ndfA:
17.22
5x19P-1ndfA:
17.22
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 5x19N-1oalA:
undetectable		 5x19N-1oalA:
18.60
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.64A 5x19N-1sxzA:
undetectable		 5x19N-1sxzA:
13.23
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 5x19N-1xsoA:
undetectable		 5x19N-1xsoA:
14.19
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.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.68A 5x1bA-1oalA:
undetectable		 5x1bA-1oalA:
18.60
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.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.64A 5x1bA-1sxzA:
undetectable		 5x1bA-1sxzA:
13.23
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.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.52A 5x1bA-1xsoA:
undetectable		 5x1bA-1xsoA:
14.19
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.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.11A 5x1bA-1ndfA:
0.0
5x1bC-1ndfA:
1.4
5x1bP-1ndfA:
1.4		 5x1bA-1ndfA:
20.15
5x1bC-1ndfA:
17.22
5x1bP-1ndfA:
17.22
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.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 5x1bN-1oalA:
undetectable		 5x1bN-1oalA:
18.60
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.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.64A 5x1bN-1sxzA:
undetectable		 5x1bN-1sxzA:
13.23
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.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 5x1bN-1xsoA:
undetectable		 5x1bN-1xsoA:
14.19
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.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.70A 5x1fA-1oalA:
undetectable		 5x1fA-1oalA:
18.60
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.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.66A 5x1fA-1sxzA:
undetectable		 5x1fA-1sxzA:
13.23
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.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.53A 5x1fA-1xsoA:
undetectable		 5x1fA-1xsoA:
14.19
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.99A 5x1fA-1ndfA:
0.0
5x1fC-1ndfA:
1.3
5x1fP-1ndfA:
1.4		 5x1fA-1ndfA:
20.15
5x1fC-1ndfA:
17.22
5x1fP-1ndfA:
17.22
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.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.68A 5x1fN-1oalA:
undetectable		 5x1fN-1oalA:
18.60
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.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.65A 5x1fN-1sxzA:
undetectable		 5x1fN-1sxzA:
13.23
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.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.52A 5x1fN-1xsoA:
undetectable		 5x1fN-1xsoA:
14.19
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 335
ASN A 190
VAL A 229
GLN A 232
 HEM  A1521 (-3.2A)
HEM  A1522 ( 4.1A)
None
HEM  A1522 ( 4.7A)
 1.30A 5xdhA-1oahA:
undetectable
5xdhC-1oahA:
undetectable		 5xdhA-1oahA:
10.16
5xdhC-1oahA:
10.16
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.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 GLN A 232
HIS A 335
ASN A 190
VAL A 229
 HEM  A1522 ( 4.7A)
HEM  A1521 (-3.2A)
HEM  A1522 ( 4.1A)
None
 1.29A 5xdhA-1oahA:
undetectable
5xdhC-1oahA:
undetectable		 5xdhA-1oahA:
10.16
5xdhC-1oahA:
10.16
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.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 5xdqA-1oalA:
undetectable		 5xdqA-1oalA:
18.60
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.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.57A 5xdqA-1sxzA:
undetectable		 5xdqA-1sxzA:
13.23
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.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.44A 5xdqA-1xsoA:
undetectable		 5xdqA-1xsoA:
14.19
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.97A 5xdqA-1ndfA:
0.0
5xdqC-1ndfA:
1.4
5xdqP-1ndfA:
1.4		 5xdqA-1ndfA:
20.15
5xdqC-1ndfA:
17.22
5xdqP-1ndfA:
17.22
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.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 5xdqN-1oalA:
undetectable		 5xdqN-1oalA:
18.60
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.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 5xdqN-1sxzA:
undetectable		 5xdqN-1sxzA:
13.23
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.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 5xdqN-1xsoA:
undetectable		 5xdqN-1xsoA:
14.19
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.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.99A 5xdqC-1ndfA:
1.4
5xdqN-1ndfA:
0.0
5xdqP-1ndfA:
1.4		 5xdqC-1ndfA:
17.22
5xdqN-1ndfA:
20.15
5xdqP-1ndfA:
17.22
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.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 5xdxA-1oalA:
undetectable		 5xdxA-1oalA:
18.60
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.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 5xdxA-1sxzA:
undetectable		 5xdxA-1sxzA:
13.23
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.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.49A 5xdxA-1xsoA:
undetectable		 5xdxA-1xsoA:
14.19
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.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.68A 5xdxN-1oalA:
undetectable		 5xdxN-1oalA:
18.60
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.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 5xdxN-1sxzA:
undetectable		 5xdxN-1sxzA:
13.23
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.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 5xdxN-1xsoA:
undetectable		 5xdxN-1xsoA:
14.19
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.01A 5xdxC-1ndfA:
1.3
5xdxN-1ndfA:
2.8
5xdxP-1ndfA:
1.4		 5xdxC-1ndfA:
17.56
5xdxN-1ndfA:
20.15
5xdxP-1ndfA:
17.56
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.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		5 / 8 TYR A 274
ILE A 347
LEU A 156
ALA A 152
LEU A  45
 TYR  A 274 ( 1.3A)
ILE  A 347 ( 0.7A)
LEU  A 156 ( 0.6A)
ALA  A 152 ( 0.0A)
LEU  A  45 ( 0.6A)
 1.15A 5y7pE-3r6yA:
undetectable		 5y7pE-3r6yA:
22.53
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.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)		 1f0p ANTIGEN 85-B
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 214
GLY A 260
ASN A 231
SER A 150
PHE A 228
 None
None
TRE  A1152 ( 4.5A)
None
None
 1.47A 5yf0A-1f0pA:
2.0		 5yf0A-1f0pA:
20.71
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.
5YOD_D_BEZD201_0
(NS3 PROTEASE)		 2qve TYROSINE AMINOMUTASE
(Streptomyces
globisporus) 		4 / 5 HIS A 357
ALA A 362
SER A 446
GLY A 151
 MDO  A 152 ( 4.1A)
None
MDO  A 152 ( 4.4A)
MDO  A 152 ( 2.4A)
 1.18A 5yodD-2qveA:
undetectable		 5yodD-2qveA:
15.91
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.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.62A 5z84A-1oalA:
undetectable		 5z84A-1oalA:
18.60
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.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.56A 5z84A-1sxzA:
undetectable		 5z84A-1sxzA:
13.23
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.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.43A 5z84A-1xsoA:
undetectable		 5z84A-1xsoA:
14.19
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.95A 5z84A-1ndfA:
0.0
5z84C-1ndfA:
1.4
5z84P-1ndfA:
1.3		 5z84A-1ndfA:
20.15
5z84C-1ndfA:
17.22
5z84P-1ndfA:
17.22
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.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.66A 5z84N-1oalA:
undetectable		 5z84N-1oalA:
18.60
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.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.60A 5z84N-1sxzA:
undetectable		 5z84N-1sxzA:
13.23
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.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 5z84N-1xsoA:
undetectable		 5z84N-1xsoA:
14.19
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.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.01A 5z84C-1ndfA:
1.4
5z84N-1ndfA:
0.2
5z84P-1ndfA:
1.3		 5z84C-1ndfA:
17.22
5z84N-1ndfA:
20.15
5z84P-1ndfA:
17.22
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.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 5z85A-1oalA:
undetectable		 5z85A-1oalA:
18.60
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.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 5z85A-1sxzA:
undetectable		 5z85A-1sxzA:
13.23
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.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 5z85A-1xsoA:
undetectable		 5z85A-1xsoA:
14.19
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.94A 5z85A-1ndfA:
0.0
5z85C-1ndfA:
1.3
5z85P-1ndfA:
1.3		 5z85A-1ndfA:
20.15
5z85C-1ndfA:
17.22
5z85P-1ndfA:
17.22
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.
5Z85_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 5z85N-1oalA:
undetectable		 5z85N-1oalA:
18.60
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.
5Z85_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 5z85N-1sxzA:
undetectable		 5z85N-1sxzA:
13.23
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.
5Z85_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 5z85N-1xsoA:
undetectable		 5z85N-1xsoA:
14.19
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.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.98A 5z85C-1ndfA:
1.3
5z85N-1ndfA:
0.0
5z85P-1ndfA:
1.3		 5z85C-1ndfA:
17.22
5z85N-1ndfA:
20.15
5z85P-1ndfA:
17.22
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.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 5z86A-1oalA:
undetectable		 5z86A-1oalA:
18.60
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.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.55A 5z86A-1sxzA:
undetectable		 5z86A-1sxzA:
13.23
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.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.41A 5z86A-1xsoA:
undetectable		 5z86A-1xsoA:
14.19
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.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.94A 5z86A-1ndfA:
2.8
5z86C-1ndfA:
1.3
5z86P-1ndfA:
1.3		 5z86A-1ndfA:
20.15
5z86C-1ndfA:
17.22
5z86P-1ndfA:
17.22
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.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.69A 5z86N-1oalA:
undetectable		 5z86N-1oalA:
18.60
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.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 5z86N-1sxzA:
undetectable		 5z86N-1sxzA:
13.23
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.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 5z86N-1xsoA:
undetectable		 5z86N-1xsoA:
14.19
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.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.00A 5z86C-1ndfA:
1.3
5z86N-1ndfA:
0.2
5z86P-1ndfA:
1.3		 5z86C-1ndfA:
17.22
5z86N-1ndfA:
20.15
5z86P-1ndfA:
17.22
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.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 5zcoA-1oalA:
undetectable		 5zcoA-1oalA:
18.60
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.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 5zcoA-1sxzA:
undetectable		 5zcoA-1sxzA:
13.23
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.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 5zcoA-1xsoA:
undetectable		 5zcoA-1xsoA:
14.19
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.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.94A 5zcoA-1ndfA:
0.0
5zcoC-1ndfA:
1.3
5zcoP-1ndfA:
1.4		 5zcoA-1ndfA:
20.15
5zcoC-1ndfA:
17.22
5zcoP-1ndfA:
17.22
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.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 5zcoN-1oalA:
undetectable		 5zcoN-1oalA:
18.60
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.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.57A 5zcoN-1sxzA:
undetectable		 5zcoN-1sxzA:
13.23
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.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.43A 5zcoN-1xsoA:
undetectable		 5zcoN-1xsoA:
14.19
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.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.98A 5zcoC-1ndfA:
1.3
5zcoN-1ndfA:
0.3
5zcoP-1ndfA:
1.4		 5zcoC-1ndfA:
17.22
5zcoN-1ndfA:
20.15
5zcoP-1ndfA:
17.22
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.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.62A 5zcpA-1oalA:
undetectable		 5zcpA-1oalA:
18.60
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.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.56A 5zcpA-1sxzA:
undetectable		 5zcpA-1sxzA:
13.23
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.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.41A 5zcpA-1xsoA:
undetectable		 5zcpA-1xsoA:
14.19
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.96A 5zcpA-1ndfA:
2.7
5zcpC-1ndfA:
1.3
5zcpP-1ndfA:
1.3		 5zcpA-1ndfA:
20.15
5zcpC-1ndfA:
17.22
5zcpP-1ndfA:
17.22
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.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.65A 5zcpN-1oalA:
undetectable		 5zcpN-1oalA:
18.60
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.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 5zcpN-1sxzA:
undetectable		 5zcpN-1sxzA:
13.23
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.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.46A 5zcpN-1xsoA:
undetectable		 5zcpN-1xsoA:
14.19
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.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.99A 5zcpC-1ndfA:
1.3
5zcpN-1ndfA:
0.2
5zcpP-1ndfA:
1.3		 5zcpC-1ndfA:
17.22
5zcpN-1ndfA:
20.15
5zcpP-1ndfA:
17.22
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.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.61A 5zcqA-1oalA:
undetectable		 5zcqA-1oalA:
18.60
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.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.55A 5zcqA-1sxzA:
undetectable		 5zcqA-1sxzA:
13.23
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.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.41A 5zcqA-1xsoA:
undetectable		 5zcqA-1xsoA:
14.19
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.95A 5zcqA-1ndfA:
0.3
5zcqC-1ndfA:
1.4
5zcqP-1ndfA:
1.3		 5zcqA-1ndfA:
20.15
5zcqC-1ndfA:
17.22
5zcqP-1ndfA:
17.22
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.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.63A 5zcqN-1oalA:
undetectable		 5zcqN-1oalA:
18.60
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.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.57A 5zcqN-1sxzA:
undetectable		 5zcqN-1sxzA:
13.23
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.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.42A 5zcqN-1xsoA:
undetectable		 5zcqN-1xsoA:
14.19
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		5 / 9 GLY A 478
VAL A 466
GLU A 469
ASP A 480
PRO A 448
 None
None
None
ADP  A1528 (-4.5A)
None
 1.21A 5zniA-1q3sA:
undetectable		 5zniA-1q3sA:
9.19
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1q3s THERMOSOME ALPHA
SUBUNIT
(Thermococcus
sp.
JCM
11816) 		5 / 9 GLY A 478
VAL A 466
GLU A 469
GLY A 411
PRO A 448
 None
None
None
ADP  A1528 (-3.4A)
None
 1.09A 5zniA-1q3sA:
undetectable		 5zniA-1q3sA:
9.19
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.
5ZRD_B_CUB606_0
(TYROSINASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 5 HIS A  45
HIS A 125
HIS A  47
HIS A  70
 CU  A 153 (-3.0A)
CU  A 153 (-3.2A)
CU  A 153 (-3.1A)
ZN  A 152 ( 3.1A)
 1.07A 5zrdB-1oalA:
undetectable		 5zrdB-1oalA:
15.69
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.
5ZRD_C_CUC604_0
(TYROSINASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 4 HIS A  45
HIS A 125
HIS A  47
HIS A  70
 CU  A 153 (-3.0A)
CU  A 153 (-3.2A)
CU  A 153 (-3.1A)
ZN  A 152 ( 3.1A)
 1.10A 5zrdC-1oalA:
undetectable		 5zrdC-1oalA:
15.69
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.
5ZRD_D_CUD607_0
(TYROSINASE)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		4 / 4 HIS A  45
HIS A 125
HIS A  47
HIS A  70
 CU  A 153 (-3.0A)
CU  A 153 (-3.2A)
CU  A 153 (-3.1A)
ZN  A 152 ( 3.1A)
 1.09A 5zrdD-1oalA:
undetectable		 5zrdD-1oalA:
15.69
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 12 ILE A 555
VAL A 525
SER A 535
VAL A 543
HIS A 512
 None
None
NAG  A1522 ( 4.6A)
None
None
 1.08A 6ap6A-5ihrA:
undetectable		 6ap6A-5ihrA:
13.89
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 12 ILE A 555
VAL A 525
SER A 535
VAL A 543
HIS A 512
 None
None
NAG  A1522 ( 4.6A)
None
None
 1.08A 6ap6B-5ihrA:
undetectable		 6ap6B-5ihrA:
13.89
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 ASP B  89
ASP B 270
HIS B 111
SER B  86
GLY B 429
 None
None
None
IMP  B1527 (-2.6A)
IMP  B1527 ( 3.3A)
 1.15A 6b0lB-4af0B:
undetectable		 6b0lB-4af0B:
10.61
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		6 / 7 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.30A 6b8kA-1uleA:
17.2		 6b8kA-1uleA:
20.14
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		6 / 8 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.48A 6b94A-1uleA:
16.1		 6b94A-1uleA:
27.62
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		6 / 10 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.45A 6b94A-1uleA:
16.1
6b94B-1uleA:
15.2		 6b94A-1uleA:
27.62
6b94B-1uleA:
27.62
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.
6BC9_A_ETSA302_2
(CARBONIC ANHYDRASE 2)		 1s1g POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY D
MEMBER 3
(Homo
sapiens) 		4 / 5 HIS A 104
GLU A  89
LEU A  44
VAL A  46
 ZN  A 152 (-3.3A)
None
None
None
 1.10A 6bc9A-1s1gA:
undetectable		 6bc9A-1s1gA:
15.97
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.
6BOC_A_EU7A102_0
(MATRIX PROTEIN 2)		 2qve TYROSINE AMINOMUTASE
(Streptomyces
globisporus) 		4 / 6 SER A 149
ALA A 430
ALA A 452
SER A 451
 MDO  A 152 ( 4.0A)
None
None
None
 0.88A 6bocA-2qveA:
undetectable
6bocB-2qveA:
undetectable
6bocC-2qveA:
undetectable
6bocD-2qveA:
undetectable		 6bocA-2qveA:
4.36
6bocB-2qveA:
4.36
6bocC-2qveA:
4.36
6bocD-2qveA:
4.36
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 LEU B 287
VAL B 364
ARG B 336
ILE B 337
ASP B 378
 None
None
MOA  B1526 (-3.6A)
None
IMP  B1527 (-2.5A)
 1.41A 6bxnA-4af0B:
undetectable		 6bxnA-4af0B:
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.
6CBD_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		 1oah CYTOCHROME C NITRITE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.46A 6cbdA-1oahA:
undetectable		 6cbdA-1oahA:
19.70
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.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 12 ALA A 880
GLY A 901
GLY A 904
ARG A 782
PHE A 943
 None
None
None
EPE  A1152 (-2.5A)
None
 1.20A 6clxA-2eyqA:
2.9		 6clxA-2eyqA:
17.33
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.
6D8P_B_ACTB804_0
(UNCHARACTERIZED
PROTEIN)		 2vea PHYTOCHROME-LIKE
PROTEIN CPH1
(Synechocystis
sp.
PCC
6803) 		4 / 4 HIS A 260
VAL A 227
LEU A 264
ALA A 256
 CYC  A1521 (-3.4A)
None
None
CYC  A1521 (-3.9A)
 1.29A 6d8pB-2veaA:
undetectable		 6d8pB-2veaA:
22.02
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.
6DGX_A_017A101_0
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.93A 6dgxA-1wsvA:
undetectable		 6dgxA-1wsvA:
12.13
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.
6DH6_A_017A104_0
(PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.94A 6dh6A-1wsvA:
undetectable		 6dh6A-1wsvA:
12.67
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.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.82A 6difB-1wsvA:
undetectable		 6difB-1wsvA:
13.28
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.
6DLZ_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 SER A 387
LEU A 381
SER A 410
ILE A 332
GLY A 333
 None
None
None
None
BEZ  A1529 (-3.6A)
 1.12A 6dlzA-2v7bA:
4.0
6dlzD-2v7bA:
2.7		 6dlzA-2v7bA:
11.30
6dlzD-2v7bA:
11.30
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 ILE A 332
GLY A 333
SER A 387
LEU A 381
SER A 410
 None
BEZ  A1529 (-3.6A)
None
None
None
 1.13A 6dlzB-2v7bA:
3.0
6dlzC-2v7bA:
3.8		 6dlzB-2v7bA:
11.30
6dlzC-2v7bA:
11.30
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 SER A 387
LEU A 381
SER A 410
ILE A 332
GLY A 333
 None
None
None
None
BEZ  A1529 (-3.6A)
 1.13A 6dm1A-2v7bA:
3.8
6dm1D-2v7bA:
3.0		 6dm1A-2v7bA:
11.30
6dm1D-2v7bA:
11.30
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 ILE A 332
GLY A 333
SER A 387
LEU A 381
SER A 410
 None
BEZ  A1529 (-3.6A)
None
None
None
 1.13A 6dm1B-2v7bA:
2.7
6dm1C-2v7bA:
3.7		 6dm1B-2v7bA:
11.30
6dm1C-2v7bA:
11.30
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 5fxe EUGENOL OXIDASE
(Rhodococcus
jostii) 		4 / 8 GLY A 231
GLN A 178
THR A 179
TYR A 171
 None
GOL  A1529 (-3.3A)
None
None
 1.16A 6eqpA-5fxeA:
undetectable		 6eqpA-5fxeA:
8.95
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.
6EXI_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2hx5 HYPOTHETICAL PROTEIN
(Prochlorococcus
marinus) 		3 / 3 LEU A 140
GLY A 135
PHE A  52
 None
None
ETX  A 152 (-4.3A)
 0.66A 6exiC-2hx5A:
undetectable		 6exiC-2hx5A:
21.23
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.
6F3M_A_ADNA502_1
(-)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
ASP A  91
LEU A 138
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
ZN  A 152 (-2.2A)
None
None
CU  A 153 (-3.1A)
 1.34A 6f3mA-1oalA:
0.0		 6f3mA-1oalA:
15.24
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.
6F3N_A_ADNA505_1
(-)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
ASP A  91
LEU A 138
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
ZN  A 152 (-2.2A)
None
None
CU  A 153 (-3.1A)
 1.28A 6f3nA-1oalA:
undetectable		 6f3nA-1oalA:
15.03
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.
6F3N_D_ADND506_1
(-)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		5 / 12 HIS A  88
ASP A  91
LEU A 138
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
ZN  A 152 (-2.2A)
None
None
CU  A 153 (-3.1A)
 1.27A 6f3nD-1oalA:
undetectable		 6f3nD-1oalA:
15.03
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.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 7 ASP A 380
ASP A 209
ARG A 506
GLN A 285
 CA  A1525 ( 3.4A)
CA  A1525 (-3.4A)
PO4  A1527 (-3.9A)
NA  A 577 (-3.3A)
 1.48A 6g31A-2yeqA:
undetectable		 6g31A-2yeqA:
9.70
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 7 ASP A 380
ASP A 209
ARG A 506
GLN A 285
 CA  A1525 ( 3.4A)
CA  A1525 (-3.4A)
PO4  A1527 (-3.9A)
NA  A 577 (-3.3A)
 1.31A 6g31G-2yeqA:
undetectable		 6g31G-2yeqA:
9.70
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c3d 2-OXOPROPYL-COM
REDUCTASE
(Xanthobacter
autotrophicus) 		3 / 3 HIS A 392
HIS A  91
HIS A  90
 None
FAD  A1524 (-4.3A)
FAD  A1524 (-4.2A)
 0.59A 6giqa-2c3dA:
undetectable		 6giqa-2c3dA:
21.82
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.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.72A 6hu9a-1oalA:
undetectable		 6hu9a-1oalA:
14.50
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.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 6hu9a-1sxzA:
undetectable		 6hu9a-1sxzA:
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.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.52A 6hu9a-1xsoA:
undetectable		 6hu9a-1xsoA:
13.51
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.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.70A 6hu9m-1oalA:
undetectable		 6hu9m-1oalA:
14.50
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.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.61A 6hu9m-1sxzA:
undetectable		 6hu9m-1sxzA:
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.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 6hu9m-1xsoA:
undetectable		 6hu9m-1xsoA:
13.51
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.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A  22
ILE A  92
HIS A  75
VAL A  30
PHE A  34
 ATP  A1527 (-4.4A)
ATP  A1527 (-3.7A)
ATP  A1527 (-4.1A)
None
None
 1.31A 6j21A-2z02A:
undetectable		 6j21A-2z02A:
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A  38
ARG A 200
HIS A 199
ASP A 250
 CA  A1521 ( 2.8A)
SGN  A1522 (-3.6A)
SGN  A1522 (-4.3A)
None
 1.19A 6mn4A-5g2vA:
undetectable		 6mn4A-5g2vA:
18.36
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.64A 6nknA-1oalA:
undetectable		 6nknA-1oalA:
18.60
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.58A 6nknA-1sxzA:
undetectable		 6nknA-1sxzA:
13.23
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.45A 6nknA-1xsoA:
undetectable		 6nknA-1xsoA:
14.19
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.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.62A 6nknN-1oalA:
undetectable		 6nknN-1oalA:
18.60
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.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.55A 6nknN-1sxzA:
undetectable		 6nknN-1sxzA:
13.23
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.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.42A 6nknN-1xsoA:
undetectable		 6nknN-1xsoA:
14.19
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 8 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.06A 6nknC-1ndfA:
1.4
6nknN-1ndfA:
0.0
6nknP-1ndfA:
1.3		 6nknC-1ndfA:
17.22
6nknN-1ndfA:
20.15
6nknP-1ndfA:
17.22
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.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 6nmfA-1oalA:
undetectable		 6nmfA-1oalA:
18.60
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.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.64A 6nmfA-1sxzA:
undetectable		 6nmfA-1sxzA:
13.23
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.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.51A 6nmfA-1xsoA:
undetectable		 6nmfA-1xsoA:
14.19
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ndf CARNITINE
ACETYLTRANSFERASE
(Mus
musculus) 		4 / 7 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.10A 6nmfA-1ndfA:
2.7
6nmfC-1ndfA:
0.8
6nmfP-1ndfA:
1.4		 6nmfA-1ndfA:
20.15
6nmfC-1ndfA:
17.22
6nmfP-1ndfA:
17.22
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.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.71A 6nmfN-1oalA:
undetectable		 6nmfN-1oalA:
18.60
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.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.67A 6nmfN-1sxzA:
undetectable		 6nmfN-1sxzA:
13.23
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.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.54A 6nmfN-1xsoA:
undetectable		 6nmfN-1xsoA:
14.19
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.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.71A 6nmpA-1oalA:
undetectable		 6nmpA-1oalA:
18.60
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.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.63A 6nmpA-1sxzA:
undetectable		 6nmpA-1sxzA:
13.23
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.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.50A 6nmpA-1xsoA:
undetectable		 6nmpA-1xsoA:
14.19
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.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1oal SUPEROXIDE DISMUTASE
(Photobacterium
leiognathi) 		3 / 3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.67A 6nmpN-1oalA:
undetectable		 6nmpN-1oalA:
18.60
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.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)
(Bos
taurus) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.59A 6nmpN-1sxzA:
undetectable		 6nmpN-1sxzA:
13.23
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.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1xso COPPER,ZINC
SUPEROXIDE DISMUTASE
(Xenopus
laevis) 		3 / 3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.47A 6nmpN-1xsoA:
undetectable		 6nmpN-1xsoA:
14.19
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 LEU B  84
ILE B 376
GLY B 379
ILE B 337
ALA B 360
 None
None
IMP  B1527 (-3.5A)
None
None
 1.34A 6qyaD-4af0B:
undetectable		 6qyaD-4af0B:
21.42