SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CIT'


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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.32A 1a4gA-1w8oA:
25.8		 1a4gA-1w8oA:
20.66
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.35A 1a4gB-1w8oA:
25.7		 1a4gB-1w8oA:
20.66
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.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 3f2e SIRV COAT PROTEIN
(Rudivirus) 		5 / 10 GLY A 102
MET A  99
LEU A  96
PHE A  79
THR A 122
 None
CIT  A 200 ( 4.7A)
None
None
None
 1.30A 1a8uA-3f2eA:
undetectable		 1a8uA-3f2eA:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 LYS A  48
LEU A 189
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.90A 1axwA-3v8hA:
33.9		 1axwA-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 LYS A  48
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.65A 1axwB-3v8hA:
34.1		 1axwB-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 LYS A  48
TRP A  80
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 1axwB-3v8hA:
34.1		 1axwB-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 ALA A  51
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.79A 1b02A-3v8hA:
30.9		 1b02A-3v8hA:
30.18
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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME
(Arabidopsis
thaliana) 		3 / 3 LEU A 183
SER A 175
ASN A  72
 None
SNN  A 176 ( 3.4A)
CIT  A 502 (-3.8A)
 0.82A 1bx4A-5nijA:
3.0		 1bx4A-5nijA:
13.64
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.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		6 / 12 GLY A  18
ILE A  89
ALA A 113
GLY A 110
ALA A 114
ILE A 117
 None
None
None
CIT  A 401 (-4.0A)
None
None
 1.46A 1bx4A-2vxyA:
8.2		 1bx4A-2vxyA:
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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME
(Arabidopsis
thaliana) 		3 / 3 TRP A  71
VAL A 383
TRP A 485
 CIT  A 502 ( 4.9A)
None
CIT  A 502 (-4.0A)
 1.16A 1c4dA-5nijA:
undetectable
1c4dB-5nijA:
undetectable		 1c4dA-5nijA:
undetectable
1c4dB-5nijA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.97A 1c6zB-1m0sA:
undetectable		 1c6zB-1m0sA:
18.26
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.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		 3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		5 / 12 LEU A 593
LEU A 597
SER A 511
VAL A 564
LEU A 517
 None
None
CIT  A2000 (-4.1A)
None
None
 1.33A 1db1A-3bdlA:
undetectable		 1db1A-3bdlA:
16.75
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.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		3 / 3 THR A 109
PRO A  75
THR A 111
 CIT  A 401 (-3.6A)
None
None
 0.95A 1dscC-2vxyA:
undetectable		 1dscC-2vxyA:
5.97
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		3 / 3 PHE A  64
LEU A 137
SER A 170
 CIT  A 301 (-4.1A)
None
None
 0.82A 1e7aA-4h0cA:
undetectable		 1e7aA-4h0cA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN
(Deinococcus
radiodurans) 		4 / 8 ASP A  12
VAL A 168
GLY A 175
GLY A 176
 CIT  A 301 ( 2.7A)
None
CIT  A 301 ( 4.3A)
None
 0.74A 1ekjE-4eelA:
undetectable
1ekjF-4eelA:
undetectable		 1ekjE-4eelA:
23.60
1ekjF-4eelA:
23.60
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.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 232
HIS A  68
LYS A 115
TYR A 121
 CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
CIT  A1249 ( 4.4A)
 1.15A 1eqbA-2xu2A:
undetectable
1eqbB-2xu2A:
undetectable		 1eqbA-2xu2A:
20.95
1eqbB-2xu2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		5 / 8 SER A  29
SER A 170
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 ( 4.8A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.72A 1eqbA-4wxbA:
58.4
1eqbB-4wxbA:
60.2		 1eqbA-4wxbA:
58.60
1eqbB-4wxbA:
58.60
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.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
HIS A 232
HIS A  68
LYS A 115
 CIT  A1249 ( 4.4A)
CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
 1.16A 1eqbA-2xu2A:
undetectable
1eqbB-2xu2A:
undetectable		 1eqbA-2xu2A:
20.95
1eqbB-2xu2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		5 / 8 SER A  29
SER A 170
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 ( 4.8A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.71A 1eqbA-4wxbA:
58.4
1eqbB-4wxbA:
60.2		 1eqbA-4wxbA:
58.60
1eqbB-4wxbA:
58.60
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.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 232
HIS A  68
LYS A 115
TYR A 121
 CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
CIT  A1249 ( 4.4A)
 1.16A 1eqbC-2xu2A:
undetectable
1eqbD-2xu2A:
undetectable		 1eqbC-2xu2A:
20.95
1eqbD-2xu2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		5 / 8 SER A  29
SER A 170
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 ( 4.8A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.72A 1eqbC-4wxbA:
60.2
1eqbD-4wxbA:
59.0		 1eqbC-4wxbA:
58.60
1eqbD-4wxbA:
58.60
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.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
HIS A 232
HIS A  68
LYS A 115
 CIT  A1249 ( 4.4A)
CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
 1.16A 1eqbC-2xu2A:
undetectable
1eqbD-2xu2A:
undetectable		 1eqbC-2xu2A:
20.95
1eqbD-2xu2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		5 / 8 SER A  29
SER A 170
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 ( 4.8A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.71A 1eqbC-4wxbA:
60.2
1eqbD-4wxbA:
59.0		 1eqbC-4wxbA:
58.60
1eqbD-4wxbA:
58.60
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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.01A 1fb7A-1m0sA:
undetectable		 1fb7A-1m0sA:
18.39
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 5v8e BACILLUS CEREUS
PATB1
(Bacillus
cereus) 		5 / 12 GLY A 207
TYR A 196
PRO A 140
TYR A 307
SER A 337
 None
None
None
None
CIT  A 401 (-2.5A)
 1.09A 1fduA-5v8eA:
undetectable		 1fduA-5v8eA:
20.67
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 1p2z HEXON PROTEIN
(Human
mastadenovirus
C) 		5 / 12 TYR A 716
TYR A 722
TYR A 932
LEU A 668
LEU A 729
 CIT  A 969 (-4.1A)
None
None
None
None
 1.36A 1fmlA-1p2zA:
undetectable		 1fmlA-1p2zA:
16.22
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.27A 1ghmA-3mfdA:
21.7		 1ghmA-3mfdA:
25.00
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.37A 1ghmA-3rjuA:
6.1		 1ghmA-3rjuA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  62
LYS A  65
SER A 123
ASN A 125
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.26A 1ghmA-5eoeA:
36.3		 1ghmA-5eoeA:
30.60
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 10 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.38A 1h4oA-3drnA:
19.4
1h4oB-3drnA:
19.7		 1h4oA-3drnA:
25.15
1h4oB-3drnA:
25.15
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.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.42A 1h4oB-3drnA:
19.7		 1h4oB-3drnA:
25.15
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.
1H4O_C_BEZC1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.42A 1h4oC-3drnA:
19.4
1h4oD-3drnA:
19.4		 1h4oC-3drnA:
25.15
1h4oD-3drnA:
25.15
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.
1H4O_D_BEZD1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.42A 1h4oD-3drnA:
19.4		 1h4oD-3drnA:
25.15
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.
1H4O_E_BEZE1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.42A 1h4oE-3drnA:
19.4
1h4oF-3drnA:
19.4		 1h4oE-3drnA:
25.15
1h4oF-3drnA:
25.15
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.
1H4O_F_BEZF1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.40A 1h4oF-3drnA:
19.4		 1h4oF-3drnA:
25.15
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.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.39A 1h4oG-3drnA:
19.4		 1h4oG-3drnA:
25.15
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.
1H4O_H_BEZH1162_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.37A 1h4oH-3drnA:
19.5		 1h4oH-3drnA:
25.15
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.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		4 / 6 ASN A 378
ILE A 407
ASN A 203
THR A 200
 CIT  A 503 ( 3.3A)
None
None
CIT  A 503 (-3.6A)
 1.22A 1h7xA-5uldA:
undetectable		 1h7xA-5uldA:
17.12
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.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		4 / 6 ASN A 378
ILE A 407
ASN A 203
THR A 200
 CIT  A 503 ( 3.3A)
None
None
CIT  A 503 (-3.6A)
 1.22A 1h7xB-5uldA:
undetectable		 1h7xB-5uldA:
17.12
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.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		4 / 6 ASN A 378
ILE A 407
ASN A 203
THR A 200
 CIT  A 503 ( 3.3A)
None
None
CIT  A 503 (-3.6A)
 1.21A 1h7xC-5uldA:
undetectable		 1h7xC-5uldA:
17.12
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.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		4 / 6 ASN A 378
ILE A 407
ASN A 203
THR A 200
 CIT  A 503 ( 3.3A)
None
None
CIT  A 503 (-3.6A)
 1.22A 1h7xD-5uldA:
undetectable		 1h7xD-5uldA:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 11 PHE A 211
ALA A 215
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
SER A 287
ALA A 291
 None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
 0.74A 1h9zA-1tf0A:
38.2		 1h9zA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 11 PHE A 211
TRP A 214
ALA A 215
LEU A 219
ARG A 222
HIS A 242
ARG A 257
LEU A 260
SER A 287
ALA A 291
 None
None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
 0.83A 1h9zA-1tf0A:
38.2		 1h9zA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 ALA A 215
LEU A 219
ARG A 222
LEU A 238
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.72A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 PHE A 211
ALA A 215
LEU A 219
LEU A 238
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.60A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 PHE A 211
TRP A 214
ALA A 215
LEU A 219
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
None
None
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.69A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 TRP A 214
ALA A 215
LEU A 219
ARG A 222
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.79A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 3no2 UNCHARACTERIZED
PROTEIN
(Bacteroides
caccae) 		5 / 11 ALA A 234
VAL A  27
LEU A 264
GLN A 263
HIS A 252
 None
None
None
None
CIT  A   2 (-3.8A)
 1.14A 1hbpA-3no2A:
undetectable		 1hbpA-3no2A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HD2_A_BEZA201_0
(PEROXIREDOXIN 5
RESIDUES 54-214)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.39A 1hd2A-3drnA:
19.5		 1hd2A-3drnA:
25.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LYS A 199
TRP A 214
LEU A 219
HIS A 242
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-3.7A)
CIT  A2001 ( 3.9A)
 0.77A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 11 TYR A 150
LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.27A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 11 TYR A 150
LYS A 199
ARG A 218
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.10A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 11 TYR A 150
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.30A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.50A 1hk2A-1tf0A:
48.4		 1hk2A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 TYR A 150
LYS A 199
LEU A 219
ARG A 222
HIS A 242
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
 0.98A 1hk2A-1tf0A:
48.4		 1hk2A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 TYR A 150
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.51A 1hk2A-1tf0A:
48.4		 1hk2A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 11 TYR A 150
LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.33A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 11 TYR A 150
LYS A 195
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.61A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 11 TYR A 150
LYS A 195
LYS A 199
TRP A 214
LEU A 219
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.77A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.09A 1hsgB-3rcmA:
undetectable		 1hsgB-3rcmA:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
ASN A  83
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.61A 1hvyA-3v8hA:
34.6		 1hvyA-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.71A 1hvyA-3v8hA:
34.6		 1hvyA-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.73A 1hvyA-3v8hA:
34.6		 1hvyA-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
ASN A  83
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.61A 1hvyB-3v8hA:
34.7		 1hvyB-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.75A 1hvyB-3v8hA:
34.7		 1hvyB-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.75A 1hvyB-3v8hA:
34.7		 1hvyB-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.28A 1hvyB-3v8hA:
34.7		 1hvyB-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 11 GLU A  58
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.72A 1hvyC-3v8hA:
34.7		 1hvyC-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 GLU A  58
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.70A 1hvyC-3v8hA:
34.7		 1hvyC-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.27A 1hvyC-3v8hA:
34.7		 1hvyC-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 GLU A  58
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.62A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
ASN A  83
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.71A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
TRP A  80
ASN A  83
LEU A 189
PHE A 224
 None
None
None
CIT  A 400 (-4.3A)
None
 0.74A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A 228
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.32A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 9 GLU A  58
TRP A  80
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 1i00A-3v8hA:
34.6		 1i00A-3v8hA:
36.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 9 GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.35A 1i00A-3v8hA:
34.6		 1i00A-3v8hA:
36.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 9 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.63A 1i00B-3v8hA:
34.6		 1i00B-3v8hA:
36.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 9 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.83A 1i00B-3v8hA:
34.6		 1i00B-3v8hA:
36.47
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.31A 1i2wA-3mfdA:
22.5		 1i2wA-3mfdA:
23.23
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.51A 1i2wA-3rjuA:
14.3		 1i2wA-3rjuA:
23.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
THR A 209
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.33A 1i2wA-5eoeA:
39.0		 1i2wA-5eoeA:
37.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  97
PRO A 160
LEU A 162
THR A 228
 CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
 0.55A 1i2wA-5eoeA:
39.1		 1i2wA-5eoeA:
37.04
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 (-3.3A)
 0.29A 1i2wB-3mfdA:
22.6		 1i2wB-3mfdA:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
THR A 209
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
 0.34A 1i2wB-5eoeA:
39.0		 1i2wB-5eoeA:
37.04
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.
1IE9_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		4 / 4 LEU A  91
ILE A 430
ARG A 322
TRP A 420
 None
FAD  A 527 (-4.7A)
CIT  A 526 (-3.3A)
FAD  A 527 (-3.8A)
 1.38A 1ie9A-1f8rA:
0.0		 1ie9A-1f8rA:
17.72
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
ASP A 209
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
None
 1.38A 1ituA-3rcmA:
13.9		 1ituA-3rcmA:
25.26
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
HIS A 158
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
ZN  A 288 ( 3.2A)
None
 1.36A 1ituA-3rcmA:
13.9		 1ituA-3rcmA:
25.26
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
ASP A 209
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
None
 1.39A 1ituB-3rcmA:
13.6		 1ituB-3rcmA:
25.26
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
HIS A 158
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
ZN  A 288 ( 3.2A)
None
 1.39A 1ituB-3rcmA:
13.6		 1ituB-3rcmA:
25.26
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 THR A 474
HIS A 477
GLU A 478
HIS A 481
GLU A 537
 CIT  A 702 ( 4.0A)
ZN  A 701 ( 3.2A)
CIT  A 702 (-2.4A)
ZN  A 701 ( 3.4A)
ZN  A 701 ( 2.2A)
 0.38A 1j36A-4iuwA:
3.3		 1j36A-4iuwA:
23.35
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 THR A 474
HIS A 477
GLU A 478
HIS A 481
GLU A 537
 CIT  A 702 ( 4.0A)
ZN  A 701 ( 3.2A)
CIT  A 702 (-2.4A)
ZN  A 701 ( 3.4A)
ZN  A 701 ( 2.2A)
 0.38A 1j36B-4iuwA:
3.3		 1j36B-4iuwA:
23.35
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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 9 THR A  36
GLY A 136
GLY A  85
SER A 117
GLY A  83
 None
None
CIT  A1001 (-4.3A)
None
None
 1.32A 1jhoA-1u11A:
4.8		 1jhoA-1u11A:
21.25
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.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 8 THR A  36
GLY A 136
GLY A  85
SER A 117
GLY A  83
 None
None
CIT  A1001 (-4.3A)
None
None
 1.33A 1jhqA-1u11A:
undetectable		 1jhqA-1u11A:
21.25
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 8 THR A  36
GLY A 136
GLY A  85
SER A 117
GLY A  83
 None
None
CIT  A1001 (-4.3A)
None
None
 1.35A 1jhvA-1u11A:
4.5		 1jhvA-1u11A:
21.25
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 9 THR A  36
GLY A 136
GLY A  85
SER A 117
GLY A  83
 None
None
CIT  A1001 (-4.3A)
None
None
 1.34A 1jhyA-1u11A:
4.8		 1jhyA-1u11A:
21.25
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT
(Streptococcus
mutans) 		5 / 12 PHE A 405
ALA A 404
GLY A 149
ALA A 396
LEU A 372
 None
None
None
CIT  A 601 (-2.9A)
None
 1.44A 1jipA-2hj0A:
undetectable		 1jipA-2hj0A:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.94A 1ju6A-3v8hA:
34.6		 1ju6A-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 9 LYS A  48
ASN A  83
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.72A 1ju6B-3v8hA:
34.6		 1ju6B-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 10 ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.94A 1ju6C-3v8hA:
34.6		 1ju6C-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 LYS A  48
ASN A  83
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.72A 1ju6D-3v8hA:
34.6		 1ju6D-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 10 LYS A  48
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.01A 1jujA-3v8hA:
34.2		 1jujA-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 LYS A  48
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 1jujA-3v8hA:
34.2		 1jujA-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 10 LYS A  48
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.01A 1jujB-3v8hA:
34.2		 1jujB-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 LYS A  48
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 1jujB-3v8hA:
34.2		 1jujB-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 10 LYS A  48
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.01A 1jujC-3v8hA:
34.2		 1jujC-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 LYS A  48
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 1jujC-3v8hA:
34.2		 1jujC-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 10 LYS A  48
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.01A 1jujD-3v8hA:
34.2		 1jujD-3v8hA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 LYS A  48
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 1jujD-3v8hA:
34.2		 1jujD-3v8hA:
34.09
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.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3hvs THIOL PEROXIDASE
(Escherichia
coli) 		4 / 8 SER A  64
ILE A  56
PHE A  53
VAL A 135
 CIT  A   1 (-2.8A)
None
None
None
 1.02A 1kb9A-3hvsA:
undetectable
1kb9C-3hvsA:
undetectable
1kb9D-3hvsA:
undetectable
1kb9E-3hvsA:
undetectable		 1kb9A-3hvsA:
19.80
1kb9C-3hvsA:
17.89
1kb9D-3hvsA:
21.60
1kb9E-3hvsA:
20.51
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 10 TYR A 156
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 (-3.9A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.35A 1kvlA-3rjuA:
34.8		 1kvlA-3rjuA:
27.06
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.
1L5Q_B_CFFB1864_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 4i4k UNCHARACTERIZED
PROTEIN SGCJ
(Streptomyces
globisporus) 		3 / 3 TRP A  29
HIS A  63
MET A  64
 None
CIT  A 201 (-3.6A)
None
 1.38A 1l5qB-4i4kA:
undetectable		 1l5qB-4i4kA:
10.19
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.
1LIN_A_TFPA154_1
(CALMODULIN)		 1rz6 CYTOCHROME C
PEROXIDASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 GLU A  40
LEU A 126
MET A 152
MET A 115
 None
None
None
CIT  A 502 ( 4.3A)
 1.14A 1linA-1rz6A:
undetectable		 1linA-1rz6A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_A_ACTA1869_0
(FPRA)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 4 ASP A 541
HIS A 477
ARG A 596
GLU A 537
 None
ZN  A 701 ( 3.2A)
CIT  A 702 (-3.0A)
ZN  A 701 ( 2.2A)
 1.00A 1lqtA-4iuwA:
undetectable		 1lqtA-4iuwA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_A_ACTA1872_0
(FPRA)		 1xvy SFUA
(Yersinia
enterocolitica) 		4 / 5 SER A 226
ASN A  60
ASP A 141
GLU A  59
 None
None
CIT  A 510 ( 4.9A)
CIT  A 510 (-2.6A)
 1.50A 1lqtA-1xvyA:
undetectable
1lqtB-1xvyA:
undetectable		 1lqtA-1xvyA:
23.59
1lqtB-1xvyA:
23.59
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 5mak R7
(synthetic
construct) 		5 / 11 ALA A 137
HIS A 118
GLU A 130
LEU A 126
LEU A 165
 None
None
None
CIT  A 401 (-4.4A)
None
 1.18A 1mjlA-5makA:
undetectable
1mjlB-5makA:
undetectable		 1mjlA-5makA:
13.65
1mjlB-5makA:
13.65
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.
1MUI_B_AB1B100_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 10 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.98A 1muiA-1m0sA:
undetectable		 1muiA-1m0sA:
22.40
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 1vl1 6-PHOSPHOGLUCONOLACT
ONASE
(Thermotoga
maritima) 		4 / 7 TYR A 115
ASN A  80
HIS A 138
GLY A  42
 None
None
CIT  A 300 (-4.0A)
CIT  A 300 (-3.5A)
 1.25A 1mxgA-1vl1A:
undetectable		 1mxgA-1vl1A:
18.55
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.
1MZ9_D_VDYD1001_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT
(Mycobacterium
tuberculosis) 		3 / 3 THR A 219
LEU A 223
LEU A 230
 CIT  A1294 ( 3.6A)
CIT  A1294 (-4.5A)
None
 0.21A 1mz9C-1uzrA:
undetectable		 1mz9C-1uzrA:
9.80
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.
1N49_D_RITD401_2
(PROTEASE)		 1mld MALATE DEHYDROGENASE
(Sus
scrofa) 		4 / 6 ASN A 118
ASP A  87
GLY A 178
ILE A 181
 CIT  A 375 (-3.2A)
None
None
None
 0.90A 1n49D-1mldA:
undetectable		 1n49D-1mldA:
16.36
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.
1NNC_A_ZMRA479_1
(NEURAMINIDASE N9)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.50A 1nncA-1w8oA:
21.7		 1nncA-1w8oA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.39A 1oc3A-3drnA:
19.4		 1oc3A-3drnA:
23.63
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.
1OC3_B_BEZB201_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.37A 1oc3B-3drnA:
19.1		 1oc3B-3drnA:
23.63
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.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3gve YFKN PROTEIN
(Bacillus
subtilis) 		3 / 3 ASP A  61
HIS A 106
HIS A  18
 MG  A 403 ( 2.7A)
CIT  A 502 (-3.9A)
MN  A 402 (-3.4A)
 0.69A 1oe3A-3gveA:
undetectable		 1oe3A-3gveA:
22.86
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.
1OLT_A_SAMA502_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		6 / 9 HIS A  97
GLY A  15
GLU A  74
PHE A 126
GLN A  13
ILE A 144
 None
None
CIT  A 379 (-2.9A)
CIT  A 379 ( 4.8A)
CIT  A 379 (-2.8A)
None
 1.28A 1oltA-3gm5A:
0.0		 1oltA-3gm5A:
17.49
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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens) 		5 / 7 ILE A 259
GLY A 261
PRO A 258
ASN A 296
ARG A 325
 None
None
None
None
CIT  A 703 (-3.6A)
 1.32A 1oniG-6fcxA:
undetectable
1oniI-6fcxA:
undetectable		 1oniG-6fcxA:
undetectable
1oniI-6fcxA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.97A 1rqjA-3pkoA:
26.8		 1rqjA-3pkoA:
30.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.91A 1rqjA-3pkoA:
26.8		 1rqjA-3pkoA:
30.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.95A 1rqjB-3pkoA:
26.9		 1rqjB-3pkoA:
30.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.89A 1rqjB-3pkoA:
26.9		 1rqjB-3pkoA:
30.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 8 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.82A 1rtsA-3v8hA:
34.6		 1rtsA-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 7 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.70A 1rtsB-3v8hA:
34.5		 1rtsB-3v8hA:
34.68
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.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 8 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.97A 1rxcB-3p6lA:
undetectable		 1rxcB-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 7 GLY A 231
ARG A 100
ILE A 233
VAL A 234
 None
CIT  A2001 (-3.9A)
None
None
 0.97A 1rxcC-2hjrA:
undetectable		 1rxcC-2hjrA:
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 7 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.99A 1rxcC-3p6lA:
undetectable		 1rxcC-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_D_URFD2021_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 7 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.06A 1rxcD-3p6lA:
undetectable		 1rxcD-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 8 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.99A 1rxcE-3p6lA:
undetectable		 1rxcE-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_F_URFF2001_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 7 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.00A 1rxcF-3p6lA:
undetectable		 1rxcF-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 8 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.97A 1rxcI-3p6lA:
undetectable		 1rxcI-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 8 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.97A 1rxcK-3p6lA:
undetectable		 1rxcK-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_L_URFL2071_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 7 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.01A 1rxcL-3p6lA:
undetectable		 1rxcL-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		4 / 8 TYR A 157
VAL A 164
HIS A 223
GLU A 158
 None
None
CIT  A 526 (-3.6A)
None
 1.23A 1s3zA-1f8rA:
undetectable
1s3zB-1f8rA:
undetectable		 1s3zA-1f8rA:
14.60
1s3zB-1f8rA:
14.60
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.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 4esw PYRIMIDINE
BIOSYNTHESIS ENZYME
THI13
(Candida
albicans) 		5 / 10 GLY A 142
ILE A 163
GLY A 159
ILE A 158
ALA A  63
 None
None
None
None
CIT  A 900 (-3.1A)
 1.01A 1sh9B-4eswA:
undetectable		 1sh9B-4eswA:
14.37
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.
1SQ5_D_PAUD6004_0
(PANTOTHENATE KINASE)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		5 / 10 VAL A  22
ASP A 276
LEU A 319
HIS A 269
LEU A  29
 None
None
None
CIT  A 379 ( 4.0A)
None
 1.39A 1sq5D-1a59A:
undetectable		 1sq5D-1a59A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 6 PHE A  75
ASN A  78
ASN A  98
GLN A 228
 None
None
None
CIT  A 302 (-2.9A)
 1.36A 1t9uA-2qpqA:
1.7		 1t9uA-2qpqA:
14.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		7 / 7 ARG A  90
ASN A 208
HIS A 223
PHE A 227
TYR A 372
ILE A 430
TRP A 465
 CIT  A 526 ( 3.2A)
CIT  A 526 (-4.2A)
CIT  A 526 (-3.6A)
CIT  A 526 (-3.9A)
CIT  A 526 ( 4.8A)
FAD  A 527 (-4.7A)
None
 0.55A 1tdnA-1f8rA:
61.3		 1tdnA-1f8rA:
86.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		4 / 7 ARG A  90
HIS A 223
PHE A 227
ILE A 374
 CIT  A 526 ( 3.2A)
CIT  A 526 (-3.6A)
CIT  A 526 (-3.9A)
CIT  A 526 ( 4.9A)
 0.92A 1tdnA-1f8rA:
61.3		 1tdnA-1f8rA:
86.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.84A 1tlsA-3v8hA:
34.2		 1tlsA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
TRP A  80
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 1.09A 1tlsA-3v8hA:
34.2		 1tlsA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
LEU A 189
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.98A 1tlsB-3v8hA:
34.2		 1tlsB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.73A 1tsnA-3v8hA:
34.3		 1tsnA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
TRP A  80
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.96A 1tsnA-3v8hA:
34.3		 1tsnA-3v8hA:
36.53
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 12 SER A 177
GLY A 201
SER A 218
ILE A 219
LEU A 224
 CIT  A 302 ( 2.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.0A)
 0.62A 1uakA-5faiA:
5.0		 1uakA-5faiA:
23.47
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.
1URM_A_BEZA201_0
(PEROXIREDOXIN 5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		6 / 9 PRO A  38
THR A  42
PRO A  43
GLY A  44
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.65A 1urmA-3drnA:
18.9		 1urmA-3drnA:
23.63
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		4 / 4 HIS A 133
GLU A  97
HIS A  68
HIS A  70
 ZN  A 288 ( 3.2A)
ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ACT  A 290 ( 4.5A)
 1.29A 1uttA-3rcmA:
undetectable		 1uttA-3rcmA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2qe9 UNCHARACTERIZED
PROTEIN YIZA
(Bacillus
subtilis) 		4 / 6 VAL A  35
ILE A 121
ILE A  86
ASP A  47
 CIT  A 201 (-4.7A)
None
None
None
 0.86A 1uwhB-2qe9A:
undetectable		 1uwhB-2qe9A:
21.20
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.78A 1v7zA-4iuwA:
undetectable		 1v7zA-4iuwA:
17.57
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.78A 1v7zB-4iuwA:
undetectable		 1v7zB-4iuwA:
17.57
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.79A 1v7zC-4iuwA:
undetectable		 1v7zC-4iuwA:
17.57
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.81A 1v7zD-4iuwA:
undetectable		 1v7zD-4iuwA:
17.57
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.81A 1v7zE-4iuwA:
undetectable		 1v7zE-4iuwA:
17.57
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.80A 1v7zF-4iuwA:
undetectable		 1v7zF-4iuwA:
17.57
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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		3 / 3 ASP A 216
GLU A 150
ARG A  50
 None
None
CIT  A 326 (-2.6A)
 0.84A 1wopA-3pkoA:
undetectable		 1wopA-3pkoA:
23.16
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.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)		 5v6d NUCLEOSIDE
DIPHOSPHATE KINASE
(Neisseria
gonorrhoeae) 		4 / 6 MET A  67
VAL A  64
LEU A  63
PHE A  59
 None
None
CIT  A 201 ( 4.7A)
CIT  A 201 (-4.2A)
 0.95A 1x8vA-5v6dA:
undetectable		 1x8vA-5v6dA:
16.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		5 / 5 LEU A 479
GLY A 483
HIS A 598
ILE A 707
PHE A 709
 CIT  A1101 (-3.7A)
ACT  A1107 (-3.8A)
None
ACT  A1107 (-3.8A)
None
 0.00A 1xf1A-1xf1A:
70.6		 1xf1A-1xf1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		6 / 6 LEU A 479
GLY A 483
HIS A 598
ASN A 600
ILE A 707
PHE A 709
 CIT  A1101 (-3.7A)
ACT  A1107 (-3.8A)
None
ACT  A1107 (-4.1A)
ACT  A1107 (-3.8A)
None
 0.13A 1xf1B-1xf1A:
57.6		 1xf1B-1xf1A:
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.
1XR2_B_C2FB1201_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN
(Deinococcus
radiodurans) 		4 / 8 LYS A 146
THR A  88
SER A 113
GLU A 170
 CIT  A 301 (-2.8A)
None
CIT  A 301 (-3.3A)
CIT  A 301 ( 4.5A)
 1.30A 1xr2B-4eelA:
undetectable		 1xr2B-4eelA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)		 3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Agrobacterium
fabrum) 		5 / 12 LEU A 253
SER A 216
LEU A 220
LEU A 235
THR A 258
 None
CIT  A 402 (-4.0A)
None
None
None
 1.40A 1ya3B-3c9hA:
undetectable		 1ya3B-3c9hA:
21.68
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.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.96A 1yhlA-3pkoA:
25.5		 1yhlA-3pkoA:
23.51
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.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.97A 1yhlA-3pkoA:
25.5		 1yhlA-3pkoA:
23.51
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.18A 1ymxA-3mfdA:
22.4		 1ymxA-3mfdA:
23.73
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.41A 1ymxA-3rjuA:
15.2		 1ymxA-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		9 / 12 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
ASN A 163
THR A 209
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.40A 1ymxA-5eoeA:
40.6		 1ymxA-5eoeA:
41.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_2
(BETA-LACTAMASE
CTX-M-9)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  97
PRO A 160
THR A 228
SER A 230
 CIT  A 303 (-4.1A)
None
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
 0.52A 1ymxA-5eoeA:
40.6		 1ymxA-5eoeA:
41.79
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.16A 1ymxB-3mfdA:
22.4		 1ymxB-3mfdA:
23.73
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.37A 1ymxB-3rjuA:
15.3		 1ymxB-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		9 / 12 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
ASN A 163
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.43A 1ymxB-5eoeA:
40.7		 1ymxB-5eoeA:
41.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  97
PRO A 160
THR A 209
THR A 228
 CIT  A 303 (-4.1A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.6A)
 0.39A 1ymxB-5eoeA:
40.7		 1ymxB-5eoeA:
41.79
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.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.99A 1yq7A-3pkoA:
25.0		 1yq7A-3pkoA:
25.64
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.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.94A 1yq7A-3pkoA:
25.0		 1yq7A-3pkoA:
25.64
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.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.87A 1yv5A-3pkoA:
25.2		 1yv5A-3pkoA:
25.64
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.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.88A 1yv5A-3pkoA:
25.2		 1yv5A-3pkoA:
25.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 7 TYR A  60
TYR A  63
CYH A  68
HIS A  77
 CIT  A 265 (-4.0A)
None
CIT  A 265 ( 4.5A)
CIT  A 265 (-3.4A)
 0.59A 1yvmA-3tb5A:
40.4		 1yvmA-3tb5A:
38.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 7 TYR A  63
CYH A  68
HIS A  77
TRP A 218
 None
CIT  A 265 ( 4.5A)
CIT  A 265 (-3.4A)
None
 0.49A 1yvmA-3tb5A:
40.4		 1yvmA-3tb5A:
38.81
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.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4i6k AMIDOHYDROLASE
FAMILY PROTEIN
(Acinetobacter
baumannii) 		5 / 11 TRP A 227
LEU A  50
HIS A  11
HIS A 158
ALA A 241
 None
None
CIT  A 301 (-4.1A)
CIT  A 301 (-4.1A)
None
 1.46A 2a58A-4i6kA:
undetectable
2a58E-4i6kA:
undetectable		 2a58A-4i6kA:
18.77
2a58E-4i6kA:
18.77
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.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4i6k AMIDOHYDROLASE
FAMILY PROTEIN
(Acinetobacter
baumannii) 		5 / 11 HIS A 158
ALA A 241
TRP A 227
LEU A  50
HIS A  11
 CIT  A 301 (-4.1A)
None
None
None
CIT  A 301 (-4.1A)
 1.46A 2a58C-4i6kA:
undetectable
2a58D-4i6kA:
undetectable		 2a58C-4i6kA:
18.77
2a58D-4i6kA:
18.77
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 10 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.94A 2aquA-1m0sA:
undetectable		 2aquA-1m0sA:
22.40
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.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.08A 2avsB-3rcmA:
undetectable		 2avsB-3rcmA:
19.19
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.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 10 ALA A 250
ILE A  87
GLY A 154
HIS A 187
ASP A 135
 None
None
None
CIT  A2001 (-3.6A)
None
 1.38A 2b17A-2hjrA:
undetectable		 2b17A-2hjrA:
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 12 GLY A  85
ALA A  84
ASP A  33
GLY A 136
ILE A 135
 CIT  A1001 (-4.3A)
CIT  A1001 (-3.8A)
CIT  A1001 (-2.9A)
None
None
 1.08A 2b7zA-1u11A:
undetectable		 2b7zA-1u11A:
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 12 GLY A  85
ALA A  84
ASP A  33
GLY A 136
ILE A 135
 CIT  A1001 (-4.3A)
CIT  A1001 (-3.8A)
CIT  A1001 (-2.9A)
None
None
 1.04A 2b7zB-1u11A:
undetectable		 2b7zB-1u11A:
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 8 LEU A  52
HIS A  62
HIS A  91
ALA A   6
 CIT  A  97 (-4.5A)
CIT  A  97 (-3.6A)
None
CIT  A  97 ( 3.9A)
 0.86A 2bnnA-3gz7A:
undetectable
2bnnB-3gz7A:
undetectable		 2bnnA-3gz7A:
23.20
2bnnB-3gz7A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 5u7s FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE
(Acinetobacter
baumannii) 		5 / 8 LEU A  10
ASN A 275
GLU A 140
HIS A 232
ALA A 189
 None
CIT  A 401 (-4.5A)
None
NA  A 402 ( 3.4A)
None
 1.02A 2bnnA-5u7sA:
undetectable
2bnnB-5u7sA:
undetectable		 2bnnA-5u7sA:
21.53
2bnnB-5u7sA:
21.53
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4wui N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE
(Jonesia
denitrificans) 		5 / 12 LEU A 123
GLY A 153
ASP A 125
ALA A 126
ALA A 139
 None
CIT  A 301 (-3.4A)
None
None
None
 1.23A 2br4B-4wuiA:
undetectable		 2br4B-4wuiA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 LYS A  21
ASP A 150
ASP A 165
 CIT  A 301 ( 4.9A)
None
None
 0.72A 2br4D-3wwpA:
2.2		 2br4D-3wwpA:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		12 / 12 TYR A 150
SER A 192
GLN A 196
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 261
ILE A 264
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
None
None
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.45A 2bxcA-1tf0A:
47.4		 2bxcA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 9 TYR A 150
GLU A 153
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
ALA A 261
ALA A 291
 DKA  A1003 (-4.4A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.45A 2bxcB-1tf0A:
47.4		 2bxcB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 9 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.38A 2bxdA-1tf0A:
47.8		 2bxdA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.31A 2bxdB-1tf0A:
47.7		 2bxdB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 TYR A 150
LYS A 199
PHE A 211
TRP A 214
ARG A 222
HIS A 242
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.64A 2bxdB-1tf0A:
47.7		 2bxdB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 LEU A 219
ARG A 218
LEU A 238
HIS A 242
LEU A 260
 None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.37A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 TYR A 150
ARG A 222
PHE A 223
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.85A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 9 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 DKA  A1003 (-4.4A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.31A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 10 TYR A 150
LEU A 219
ARG A 222
PHE A 223
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.82A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 10 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ILE A 264
ALA A 291
 DKA  A1003 (-4.4A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
 0.34A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 8 PHE A 211
ALA A 215
ARG A 218
LEU A 238
 None
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
 1.00A 2bxkA-1tf0A:
38.5		 2bxkA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 12 PHE A 211
TRP A 214
LEU A 219
PHE A 223
LEU A 238
HIS A 242
LEU A 260
ALA A 261
ILE A 264
ALA A 291
 None
None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
None
CIT  A2001 ( 3.9A)
 0.44A 2bxpA-1tf0A:
38.2		 2bxpA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 12 PHE A 211
TRP A 214
LEU A 219
PHE A 223
LEU A 238
HIS A 242
LEU A 260
SER A 287
ALA A 291
 None
None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
CIT  A2001 ( 3.9A)
 0.62A 2bxpA-1tf0A:
38.2		 2bxpA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 10 ALA A 210
PHE A 211
ALA A 215
ARG A 218
LEU A 219
LEU A 238
LEU A 481
 DKA  A1002 (-3.3A)
None
None
CIT  A2001 (-4.0A)
None
DKA  A1003 (-4.3A)
None
 0.43A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 10 LYS A 199
ARG A 218
LEU A 219
LEU A 238
LEU A 481
 CIT  A2001 ( 2.7A)
CIT  A2001 (-4.0A)
None
DKA  A1003 (-4.3A)
None
 1.01A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 12 LEU A 219
ARG A 222
PHE A 223
LEU A 238
HIS A 242
ILE A 264
 None
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.45A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 12 LYS A 199
LEU A 219
ARG A 222
PHE A 223
LEU A 238
HIS A 242
ILE A 264
SER A 287
ILE A 290
ALA A 291
 CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.82A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		11 / 12 LYS A 199
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ILE A 264
SER A 287
ILE A 290
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.83A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
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.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 7 TYR A 255
ASP A 259
TYR A  28
HIS A 178
 None
None
None
CIT  A1366 (-3.0A)
 1.46A 2bytA-2c6xA:
undetectable		 2bytA-2c6xA:
18.85
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.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 7 TYR A 255
ASP A 259
TYR A  28
HIS A 178
 None
None
None
CIT  A1366 (-3.0A)
 1.47A 2bytD-2c6xA:
undetectable		 2bytD-2c6xA:
18.85
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 ALA A 437
HIS A 477
GLU A 478
HIS A 481
GLU A 537
 CIT  A 702 (-4.2A)
ZN  A 701 ( 3.2A)
CIT  A 702 (-2.4A)
ZN  A 701 ( 3.4A)
ZN  A 701 ( 2.2A)
 0.31A 2c6nA-4iuwA:
3.8		 2c6nA-4iuwA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		4 / 7 GLY A 130
SER A 165
SER A 170
GLU A 169
 CIT  A 301 (-3.4A)
None
None
None
 0.90A 2c8aB-4h0cA:
undetectable		 2c8aB-4h0cA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		4 / 7 GLY A 130
SER A 165
SER A 170
GLU A 169
 CIT  A 301 (-3.4A)
None
None
None
 0.83A 2c8aD-4h0cA:
undetectable		 2c8aD-4h0cA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.43A 2cmlA-1w8oA:
21.8		 2cmlA-1w8oA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.45A 2cmlB-1w8oA:
22.0		 2cmlB-1w8oA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.46A 2cmlC-1w8oA:
21.9		 2cmlC-1w8oA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.46A 2cmlD-1w8oA:
22.1		 2cmlD-1w8oA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D55_C_DVAC2_0
(ACTINOMYCIN D)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		3 / 3 THR A 421
PRO A 418
PRO A 423
 CIT  A 503 (-3.1A)
None
None
 0.74A 2d55C-5uldA:
undetectable		 2d55C-5uldA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 10 GLY A  18
GLY A 110
THR A 109
ALA A 113
ALA A 114
 None
CIT  A 401 (-4.0A)
CIT  A 401 (-3.6A)
None
None
 1.08A 2ej3B-2vxyA:
undetectable		 2ej3B-2vxyA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 8 GLY A  18
GLY A 110
THR A 109
ALA A 113
ALA A 114
 None
CIT  A 401 (-4.0A)
CIT  A 401 (-3.6A)
None
None
 1.10A 2ej3C-2vxyA:
undetectable		 2ej3C-2vxyA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F0Z_A_ZMRA381_1
(SIALIDASE 2)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.34A 2f0zA-1w8oA:
43.7		 2f0zA-1w8oA:
23.23
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.
2F10_A_BCZA382_0
(SIALIDASE 2)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ARG A  87
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
CIT  A1649 (-3.0A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.42A 2f10A-1w8oA:
43.2		 2f10A-1w8oA:
23.23
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		4 / 7 HIS A 221
ASN A 318
ASP A 276
GLY A 222
 CIT  A 379 (-3.9A)
COA  A 380 (-3.4A)
None
CIT  A 379 ( 3.7A)
 1.04A 2f6dA-1a59A:
0.0		 2f6dA-1a59A:
22.78
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		4 / 7 HIS A 223
ASN A 310
ASP A 269
GLY A 224
 CIT  A1000 (-4.0A)
COA  A3000 (-3.3A)
None
CIT  A1000 (-4.2A)
 0.99A 2f6dA-1aj8A:
0.0		 2f6dA-1aj8A:
23.18
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.94A 2f8cF-3pkoA:
25.5		 2f8cF-3pkoA:
23.35
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.95A 2f8cF-3pkoA:
25.5		 2f8cF-3pkoA:
23.35
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.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.91A 2f8zF-3pkoA:
25.5		 2f8zF-3pkoA:
23.35
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.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.93A 2f8zF-3pkoA:
25.5		 2f8zF-3pkoA:
23.35
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 12 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.86A 2f94F-3pkoA:
25.3		 2f94F-3pkoA:
23.35
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 12 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.79A 2f94F-3pkoA:
25.3		 2f94F-3pkoA:
23.35
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.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.96A 2f9kF-3pkoA:
25.7		 2f9kF-3pkoA:
23.35
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.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.94A 2f9kF-3pkoA:
25.7		 2f9kF-3pkoA:
23.35
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 12 HIS A  95
SER A 148
PRO A 116
THR A 150
VAL A 153
 CIT  A 347 (-4.1A)
CIT  A 347 (-3.6A)
None
CIT  A 347 (-3.2A)
None
 1.43A 2fj1A-3qslA:
undetectable		 2fj1A-3qslA:
24.92
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.09A 2g70A-2pqfA:
undetectable		 2g70A-2pqfA:
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.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.17A 2g70B-2pqfA:
undetectable		 2g70B-2pqfA:
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.17A 2g72A-2pqfA:
undetectable		 2g72A-2pqfA:
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.20A 2g72B-2pqfA:
undetectable		 2g72B-2pqfA:
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		5 / 11 SER A  93
SER A  91
THR A 221
GLY A 231
HIS A 223
 CIT  A 501 (-2.7A)
CIT  A 501 (-3.8A)
CIT  A 501 (-4.5A)
None
CIT  A 501 (-3.8A)
 1.39A 2hmaA-4wxbA:
undetectable		 2hmaA-4wxbA:
21.95
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.
2HS1_A_017A201_1
(HIV-1 PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.03A 2hs1A-1m0sA:
undetectable		 2hs1A-1m0sA:
16.30
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.66A 2htqA-1w8oA:
22.3		 2htqA-1w8oA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 5 LEU A 219
LEU A 260
ILE A 264
ILE A 290
ALA A 291
 None
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.39A 2i2zA-1tf0A:
38.1		 2i2zA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 LEU A 219
ILE A 264
ILE A 290
ALA A 291
 None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.31A 2i30A-1tf0A:
38.3		 2i30A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2INE_A_PACA317_0
(ALDOSE REDUCTASE)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 5 TRP A  23
TYR A  52
HIS A 110
TRP A 111
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 (-4.4A)
 0.20A 2ineA-1vbjA:
39.0		 2ineA-1vbjA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ISF_A_PACA317_0
(ALDOSE REDUCTASE)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 5 TRP A  23
TYR A  52
HIS A 110
TRP A 111
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 (-4.4A)
 0.18A 2isfA-1vbjA:
38.8		 2isfA-1vbjA:
39.81
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.
2J2P_B_SC2B1294_1
(FICOLIN-2)		 4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN
(Deinococcus
radiodurans) 		5 / 9 GLY A 175
SER A 172
ASP A 171
ASP A  12
GLU A  21
 CIT  A 301 ( 4.3A)
CIT  A 301 ( 4.2A)
NA  A 302 (-2.8A)
CIT  A 301 ( 2.7A)
None
 1.49A 2j2pB-4eelA:
undetectable
2j2pC-4eelA:
undetectable		 2j2pB-4eelA:
22.26
2j2pC-4eelA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		4 / 6 ARG A 104
ASP A 252
SER A 251
SER A 266
 CIT  A1585 (-3.1A)
None
None
None
 0.96A 2j2pA-2d1cA:
undetectable
2j2pC-2d1cA:
undetectable		 2j2pA-2d1cA:
17.55
2j2pC-2d1cA:
17.55
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		4 / 6 ARG A 104
ASP A 252
SER A 251
SER A 266
 CIT  A1585 (-3.1A)
None
None
None
 0.96A 2j2pD-2d1cA:
undetectable
2j2pF-2d1cA:
undetectable		 2j2pD-2d1cA:
17.55
2j2pF-2d1cA:
17.55
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.
2J9C_A_ACTA1121_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		4 / 5 VAL A 210
SER A 268
VAL A 205
SER A 199
 None
None
CIT  A 401 (-3.7A)
None
 1.39A 2j9cA-5tnxA:
undetectable
2j9cB-5tnxA:
undetectable
2j9cC-5tnxA:
undetectable		 2j9cA-5tnxA:
16.25
2j9cB-5tnxA:
16.25
2j9cC-5tnxA:
16.25
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.
2JIH_B_097B1001_1
(ADAMTS-1)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 THR A 474
HIS A 477
GLU A 478
HIS A 481
 CIT  A 702 ( 4.0A)
ZN  A 701 ( 3.2A)
CIT  A 702 (-2.4A)
ZN  A 701 ( 3.4A)
 0.33A 2jihB-4iuwA:
undetectable		 2jihB-4iuwA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.05A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A  58
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.70A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A  58
LEU A 189
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.95A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 1.06A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.23A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 1.23A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.23A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 LEU A 189
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.80A 2kceB-3v8hA:
34.3		 2kceB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.69A 2kceB-3v8hA:
34.3		 2kceB-3v8hA:
36.53
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.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		 4xg0 UNCHARACTERIZED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 12 LYS A  88
LEU A  85
ILE A   6
PHE A  23
GLY A 209
 CIT  A 501 (-2.6A)
None
None
None
None
 1.30A 2lbdA-4xg0A:
undetectable		 2lbdA-4xg0A:
23.06
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 3ghf SEPTUM
SITE-DETERMINING
PROTEIN MINC
(Salmonella
enterica) 		4 / 8 ILE A  50
ILE A  75
ASN A  60
VAL A  59
 None
None
CIT  A 201 (-4.7A)
CIT  A 201 (-3.8A)
 0.55A 2nniA-3ghfA:
undetectable		 2nniA-3ghfA:
15.42
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.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME
(Arabidopsis
thaliana) 		5 / 12 ALA A  65
ASP A 358
GLY A 249
LEU A 270
ASP A  78
 None
CIT  A 502 (-3.6A)
None
None
None
 1.26A 2nv4B-5nijA:
undetectable		 2nv4B-5nijA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.91A 2o1oA-3pkoA:
24.9		 2o1oA-3pkoA:
24.81
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.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.79A 2o1oA-3pkoA:
24.9		 2o1oA-3pkoA:
24.81
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.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 1.10A 2o1oB-3pkoA:
25.2		 2o1oB-3pkoA:
24.81
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3csw PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE
(Thermotoga
maritima) 		4 / 5 LEU A  34
VAL A 153
LEU A 155
ARG A 145
 None
None
None
CIT  A 302 (-4.3A)
 1.06A 2oiqA-3cswA:
undetectable		 2oiqA-3cswA:
23.01
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 4i6k AMIDOHYDROLASE
FAMILY PROTEIN
(Acinetobacter
baumannii) 		5 / 12 LEU A 109
LEU A 140
LEU A 143
GLY A 160
HIS A 158
 None
None
None
None
CIT  A 301 (-4.1A)
 0.89A 2ouzA-4i6kA:
undetectable		 2ouzA-4i6kA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 5mlq CDPS
(Nocardia
brasiliensis) 		3 / 3 SER A  61
HIS A 186
ASP A 123
 None
CIT  A 301 (-3.8A)
None
 0.53A 2oxtA-5mlqA:
undetectable		 2oxtA-5mlqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		4 / 4 HIS A 133
GLU A  97
HIS A  68
HIS A  70
 ZN  A 288 ( 3.2A)
ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ACT  A 290 ( 4.5A)
 1.34A 2ozrE-3rcmA:
undetectable		 2ozrE-3rcmA:
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASP A  51
GLY A  54
ASN A   3
GLY A   0
ASP A   2
 None
None
CIT  A 502 (-3.8A)
CIT  A 502 (-3.1A)
None
 1.03A 2pkkA-6enoA:
3.0		 2pkkA-6enoA:
12.61
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		4 / 7 ALA A  55
TYR A  58
MET A 204
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 1.06A 2pncA-3wczA:
undetectable		 2pncA-3wczA:
18.02
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 1.18A 2q58A-3pkoA:
25.0		 2q58A-3pkoA:
24.81
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 1d3b PROTEIN (SMALL
NUCLEAR
RIBONUCLEOPROTEIN
ASSOCIATED PROTEIN
B)
(Homo
sapiens) 		5 / 12 LEU B  21
ASN B  76
LEU B  77
GLY B  74
VAL B  70
 GOL  B 608 ( 4.5A)
GOL  B 608 (-3.3A)
CIT  B 702 (-4.4A)
None
None
 1.31A 2q7lA-1d3bB:
undetectable		 2q7lA-1d3bB:
14.73
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		 2zzj GLUCURONAN LYASE A
(Trichoderma
reesei) 		4 / 7 ILE A 114
ARG A  75
PHE A  74
PHE A 172
 None
CIT  A 240 (-2.8A)
None
None
 0.90A 2qb4A-2zzjA:
undetectable		 2qb4A-2zzjA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_A_CHDA701_0
(FERROCHELATASE)		 5v6d NUCLEOSIDE
DIPHOSPHATE KINASE
(Neisseria
gonorrhoeae) 		4 / 8 MET A  67
LEU A  63
ARG A 104
GLY A 118
 None
CIT  A 201 ( 4.7A)
CIT  A 201 (-2.9A)
None
 1.11A 2qd5A-5v6dA:
undetectable		 2qd5A-5v6dA:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QEU_A_ACTA142_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 2qeu PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE
(Paraburkholderia
xenovorans) 		4 / 5 GLU A  80
PRO A  81
ILE A  82
GLY A  83
 CIT  A 146 ( 3.0A)
ACT  A 142 (-3.5A)
ACT  A 142 (-3.9A)
ACT  A 142 ( 3.1A)
 0.00A 2qeuA-2qeuA:
26.9
2qeuC-2qeuA:
25.2		 2qeuA-2qeuA:
100.00
2qeuC-2qeuA:
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.
2R2V_D_ACTD37_0
(GCN4 LEUCINE ZIPPER)		 1vl1 6-PHOSPHOGLUCONOLACT
ONASE
(Thermotoga
maritima) 		3 / 3 LYS A 190
ARG A 186
VAL A 218
 CIT  A 300 (-2.6A)
None
None
 1.09A 2r2vC-1vl1A:
0.0
2r2vD-1vl1A:
undetectable		 2r2vC-1vl1A:
11.31
2r2vD-1vl1A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TCT_A_CTCA222_0
(TETRACYCLINE
REPRESSOR)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 12 HIS A  95
SER A 148
PRO A 116
THR A 150
VAL A 153
 CIT  A 347 (-4.1A)
CIT  A 347 (-3.6A)
None
CIT  A 347 (-3.2A)
None
 1.43A 2tctA-3qslA:
undetectable		 2tctA-3qslA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.52A 2tsrA-3v8hA:
34.5		 2tsrA-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.79A 2tsrA-3v8hA:
34.5		 2tsrA-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 10 GLU A  58
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.76A 2tsrC-3v8hA:
34.5		 2tsrC-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 9 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.72A 2tsrD-3v8hA:
undetectable		 2tsrD-3v8hA:
34.68
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.
2UZ2_A_ACTA1123_0
(XENAVIDIN)		 1wdi HYPOTHETICAL PROTEIN
TT0907
(Thermus
thermophilus) 		4 / 7 ASN A  61
LEU A 209
SER A  63
VAL A 211
 CIT  A1322 (-4.4A)
None
None
None
 1.14A 2uz2A-1wdiA:
undetectable		 2uz2A-1wdiA:
14.91
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.
2V0G_D_LEUD1883_0
(AMINOACYL-TRNA
SYNTHETASE)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 5 TYR A 255
ASP A 259
TYR A  28
HIS A 178
 None
None
None
CIT  A1366 (-3.0A)
 1.47A 2v0gD-2c6xA:
0.0		 2v0gD-2c6xA:
18.85
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 3g68 PUTATIVE
PHOSPHOSUGAR
ISOMERASE
(Clostridioides
difficile) 		4 / 7 ILE A 314
THR A 149
ILE A 212
GLY A  42
 None
None
None
CIT  A 401 ( 3.7A)
 0.66A 2v0mB-3g68A:
undetectable		 2v0mB-3g68A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.58A 2v2gA-3drnA:
19.4
2v2gB-3drnA:
19.5		 2v2gA-3drnA:
27.78
2v2gB-3drnA:
27.78
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.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.59A 2v2gA-3drnA:
19.4
2v2gB-3drnA:
19.5		 2v2gA-3drnA:
27.78
2v2gB-3drnA:
27.78
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.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.59A 2v2gC-3drnA:
19.4
2v2gD-3drnA:
19.4		 2v2gC-3drnA:
27.78
2v2gD-3drnA:
27.78
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.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.62A 2v2gC-3drnA:
19.4
2v2gD-3drnA:
19.4		 2v2gC-3drnA:
27.78
2v2gD-3drnA:
27.78
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 8 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.50A 2v32A-3drnA:
19.3
2v32B-3drnA:
19.5		 2v32A-3drnA:
27.78
2v32B-3drnA:
27.78
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 8 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.57A 2v32A-3drnA:
19.3
2v32B-3drnA:
19.5		 2v32A-3drnA:
27.78
2v32B-3drnA:
27.78
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.51A 2v32C-3drnA:
19.4
2v32D-3drnA:
22.0		 2v32C-3drnA:
27.78
2v32D-3drnA:
27.78
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 8 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.58A 2v32C-3drnA:
19.4
2v32D-3drnA:
22.0		 2v32C-3drnA:
27.78
2v32D-3drnA:
27.78
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.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.51A 2v41A-3drnA:
19.4
2v41B-3drnA:
19.3		 2v41A-3drnA:
27.78
2v41B-3drnA:
27.78
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.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 9 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.60A 2v41A-3drnA:
19.4
2v41B-3drnA:
19.3		 2v41A-3drnA:
27.78
2v41B-3drnA:
27.78
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.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.59A 2v41C-3drnA:
21.6
2v41D-3drnA:
22.0		 2v41C-3drnA:
27.78
2v41D-3drnA:
27.78
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.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.60A 2v41C-3drnA:
21.7
2v41D-3drnA:
22.0		 2v41C-3drnA:
27.78
2v41D-3drnA:
27.78
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.56A 2v41E-3drnA:
19.1
2v41F-3drnA:
19.2		 2v41E-3drnA:
27.78
2v41F-3drnA:
27.78
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.58A 2v41E-3drnA:
19.1
2v41F-3drnA:
19.2		 2v41E-3drnA:
27.78
2v41F-3drnA:
27.78
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 8 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.58A 2v41G-3drnA:
19.3
2v41H-3drnA:
19.3		 2v41G-3drnA:
27.78
2v41H-3drnA:
27.78
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.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 8 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.57A 2v41G-3drnA:
19.3
2v41H-3drnA:
19.3		 2v41G-3drnA:
27.78
2v41H-3drnA:
27.78
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.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		5 / 10 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.40A 2vl2A-3drnA:
19.4
2vl2C-3drnA:
16.6		 2vl2A-3drnA:
23.63
2vl2C-3drnA:
23.63
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.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		 3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG
(Sulfolobus
solfataricus) 		4 / 7 PRO A  38
THR A  42
PRO A  43
GLY A  44
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
 0.40A 2vl2B-3drnA:
19.2		 2vl2B-3drnA:
23.63
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 7 HIS A 232
HIS A  68
LYS A 115
TYR A 121
 CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
CIT  A1249 ( 4.4A)
 1.21A 2vmyA-2xu2A:
undetectable
2vmyB-2xu2A:
undetectable		 2vmyA-2xu2A:
23.58
2vmyB-2xu2A:
23.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		4 / 7 HIS A 120
HIS A 198
LYS A 224
ARG A 357
 None
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 1.34A 2vmyA-4wxbA:
58.1
2vmyB-4wxbA:
58.0		 2vmyA-4wxbA:
58.87
2vmyB-4wxbA:
58.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		4 / 7 SER A  29
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.37A 2vmyA-4wxbA:
58.1
2vmyB-4wxbA:
58.0		 2vmyA-4wxbA:
58.87
2vmyB-4wxbA:
58.87
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
HIS A 232
HIS A  68
LYS A 115
 CIT  A1249 ( 4.4A)
CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
 1.16A 2vmyA-2xu2A:
undetectable
2vmyB-2xu2A:
undetectable		 2vmyA-2xu2A:
23.58
2vmyB-2xu2A:
23.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE
(Streptococcus
thermophilus) 		5 / 8 SER A  29
SER A 170
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 ( 4.8A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.76A 2vmyA-4wxbA:
58.1
2vmyB-4wxbA:
58.0		 2vmyA-4wxbA:
58.87
2vmyB-4wxbA:
58.87
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 5olt -
(-) 		4 / 8 SER A 278
SER A 244
HIS A 443
ARG A 458
 ZN  A 601 ( 2.0A)
ZN  A 601 ( 4.4A)
ZN  A 601 (-3.2A)
CIT  A 603 (-3.0A)
 1.22A 2vmyA-5oltA:
undetectable
2vmyB-5oltA:
undetectable		 2vmyA-5oltA:
undetectable
2vmyB-5oltA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		 3h55 ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Homo
sapiens) 		4 / 9 ILE A 118
ALA A 146
VAL A 150
LYS A 115
 None
None
None
CIT  A1100 (-2.7A)
 1.02A 2vufB-3h55A:
undetectable		 2vufB-3h55A:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 5xns CHROMOSOME PARTITION
PROTEIN SMC
(Pyrococcus
furiosus) 		5 / 11 ILE A1099
PHE A1124
PHE A1096
VAL A 143
THR A1128
 None
None
None
None
CIT  A1202 (-3.9A)
 1.09A 2w3aA-5xnsA:
undetectable		 2w3aA-5xnsA:
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.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 12 ILE A 210
TYR A  47
ALA A 110
ALA A 108
THR A  96
 None
CIT  A 347 (-4.4A)
None
None
None
 1.26A 2x2nD-3qslA:
undetectable		 2x2nD-3qslA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_B_HSMB1162_1
(ALLERGEN ARG R 1)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		3 / 3 GLU A 135
HIS A  13
GLU A  40
 CIT  A 272 (-2.9A)
CIT  A 272 (-3.9A)
CIT  A 272 (-3.6A)
 0.61A 2x45B-3ch0A:
undetectable		 2x45B-3ch0A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1162_1
(ALLERGEN ARG R 1)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		3 / 3 GLU A 135
HIS A  13
GLU A  40
 CIT  A 272 (-2.9A)
CIT  A 272 (-3.9A)
CIT  A 272 (-3.6A)
 0.65A 2x45C-3ch0A:
undetectable		 2x45C-3ch0A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		 4u36 SEED LECTIN
(Vatairea
macrocarpa) 		3 / 3 SER A 128
THR A  85
PHE A  75
 CIT  A 308 (-4.5A)
CIT  A 308 (-4.8A)
None
 0.75A 2x91A-4u36A:
undetectable		 2x91A-4u36A:
17.28
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.
2XKW_B_P1BB1475_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4yhc STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN
(Schizosaccharomy
ces
pombe) 		5 / 12 PHE A 689
SER A 767
ALA A 751
LEU A 814
ILE A 744
 None
CIT  A1102 ( 4.6A)
CIT  A1102 ( 4.2A)
None
None
 1.20A 2xkwB-4yhcA:
undetectable		 2xkwB-4yhcA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		4 / 8 LEU A 133
LEU A 250
LEU A 257
ARG A 114
 None
None
None
CIT  A1585 (-3.1A)
 1.15A 2xn3A-2d1cA:
undetectable
2xn3B-2d1cA:
undetectable		 2xn3A-2d1cA:
20.52
2xn3B-2d1cA:
6.14
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.
2XNR_A_ACTA1001_0
(NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		3 / 3 SER A 113
ARG A  90
GLN A 114
 None
CIT  A 526 ( 3.2A)
None
 0.97A 2xnrA-1f8rA:
1.7		 2xnrA-1f8rA:
10.46
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.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3gve YFKN PROTEIN
(Bacillus
subtilis) 		3 / 3 ASP A  61
HIS A 106
HIS A  18
 MG  A 403 ( 2.7A)
CIT  A 502 (-3.9A)
MN  A 402 (-3.4A)
 0.70A 2xxgA-3gveA:
undetectable		 2xxgA-3gveA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3gve YFKN PROTEIN
(Bacillus
subtilis) 		3 / 3 ASP A  61
HIS A 106
HIS A  18
 MG  A 403 ( 2.7A)
CIT  A 502 (-3.9A)
MN  A 402 (-3.4A)
 0.70A 2xxgC-3gveA:
undetectable		 2xxgC-3gveA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE
(Homo
sapiens) 		4 / 8 TYR A 284
ILE A 281
ASP A 220
SER A 224
 None
None
CIT  A 701 (-2.8A)
None
 1.11A 2xytE-1lt8A:
0.0		 2xytE-1lt8A:
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE
(Homo
sapiens) 		4 / 8 TYR A 284
ILE A 281
ASP A 220
SER A 224
 None
None
CIT  A 701 (-2.8A)
None
 1.10A 2xytH-1lt8A:
undetectable		 2xytH-1lt8A:
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE
(Homo
sapiens) 		4 / 7 TYR A 284
ILE A 281
ASP A 220
SER A 224
 None
None
CIT  A 701 (-2.8A)
None
 1.12A 2xytI-1lt8A:
0.0		 2xytI-1lt8A:
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		4 / 8 THR A 171
GLN A 173
GLN A 131
SER A 193
 None
CIT  A 272 ( 4.5A)
EDO  A 285 (-3.0A)
None
 0.83A 2xz5C-3ch0A:
undetectable
2xz5D-3ch0A:
undetectable		 2xz5C-3ch0A:
22.86
2xz5D-3ch0A:
22.86
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		 3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		4 / 8 ARG A 382
SER A 511
VAL A 571
VAL A 506
 None
CIT  A2000 (-4.1A)
None
None
 1.33A 2y05A-3bdlA:
undetectable
2y05B-3bdlA:
undetectable		 2y05A-3bdlA:
20.62
2y05B-3bdlA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_A_ZMRA1776_1
(NEURAMINIDASE A)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ASP A  85
ASP A 131
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.37A 2ya7A-1w8oA:
47.5		 2ya7A-1w8oA:
24.84
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ASP A  85
ASP A 131
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.39A 2ya7B-1w8oA:
47.3		 2ya7B-1w8oA:
24.84
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ASP A  85
ASP A 131
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.35A 2ya7C-1w8oA:
45.7		 2ya7C-1w8oA:
24.84
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ASP A  85
ASP A 131
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.38A 2ya7D-1w8oA:
46.9		 2ya7D-1w8oA:
24.84
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 12 GLY A 110
ILE A 117
ALA A 147
VAL A 101
VAL A 163
 CIT  A 401 (-4.0A)
None
None
None
None
 0.93A 2yqzB-2vxyA:
4.2		 2yqzB-2vxyA:
23.08
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.
2YVL_A_SAMA601_1
(HYPOTHETICAL PROTEIN)		 3nat UNCHARACTERIZED
PROTEIN
(Enterococcus
faecalis) 		4 / 4 GLU A  83
ASP A  81
ASP A  28
TYR A  72
 None
CIT  A 162 ( 3.3A)
None
ZN  A 165 ( 4.9A)
 1.16A 2yvlA-3natA:
0.0		 2yvlA-3natA:
24.60
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 391
GLY A 481
PHE A 545
ASP A 532
VAL A 509
 None
CIT  A   1 (-3.6A)
None
None
None
 1.17A 2yvlC-3u1kA:
undetectable		 2yvlC-3u1kA:
18.18
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.07A 2z54A-3rcmA:
undetectable		 2z54A-3rcmA:
19.19
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1d3b PROTEIN (SMALL
NUCLEAR
RIBONUCLEOPROTEIN SM
D3)
PROTEIN (SMALL
NUCLEAR
RIBONUCLEOPROTEIN
ASSOCIATED PROTEIN
B)
(Homo
sapiens;
Homo
sapiens) 		5 / 12 GLY A  65
LEU B  77
GLY B  74
LEU B  72
LEU B  42
 None
CIT  B 702 (-4.4A)
None
None
None
 1.10A 2zbpA-1d3bA:
undetectable		 2zbpA-1d3bA:
15.93
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.
2ZIA_B_CL9B401_2
(DEOXYCYTIDINE KINASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		4 / 4 ARG A  68
ASP A  85
LEU A 384
ARG A 276
 CIT  A1649 ( 2.6A)
None
None
CIT  A1649 ( 2.7A)
 1.35A 2ziaB-1w8oA:
undetectable		 2ziaB-1w8oA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		4 / 5 LEU A  91
ILE A 430
ARG A 322
TRP A 420
 None
FAD  A 527 (-4.7A)
CIT  A 526 (-3.3A)
FAD  A 527 (-3.8A)
 1.45A 2zlcA-1f8rA:
0.0		 2zlcA-1f8rA:
19.09
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.
2ZM9_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 8 TYR C 163
HIS C  31
GLY C 154
ILE C 153
 None
CIT  C 501 (-3.9A)
None
None
 0.87A 2zm9A-4gypC:
undetectable		 2zm9A-4gypC:
22.80
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		4 / 7 ARG A  87
ARG A 276
GLU A 260
SER A 206
 CIT  A1649 (-3.0A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-3.6A)
None
 1.24A 2zt7A-1w8oA:
undetectable		 2zt7A-1w8oA:
21.63
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.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 SER A 251
GLU A 277
ASP A 248
 None
NAP  A1002 (-3.5A)
CIT  A1585 (-3.2A)
 0.84A 2zthA-2d1cA:
2.4		 2zthA-2d1cA:
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.78A 3a6jA-4iuwA:
undetectable		 3a6jA-4iuwA:
16.54
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 7 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.75A 3a6jB-4iuwA:
undetectable		 3a6jB-4iuwA:
16.54
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.76A 3a6jC-4iuwA:
undetectable		 3a6jC-4iuwA:
16.54
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.79A 3a6jE-4iuwA:
undetectable		 3a6jE-4iuwA:
16.54
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		4 / 8 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.76A 3a6jF-4iuwA:
undetectable		 3a6jF-4iuwA:
16.54
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.
3ABM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		4 / 6 LEU A 540
ARG A 515
MET A 518
LEU A 594
 None
CIT  A2001 (-3.0A)
None
None
 1.07A 3abmA-5t8vA:
2.2
3abmJ-5t8vA:
undetectable		 3abmA-5t8vA:
15.48
3abmJ-5t8vA:
3.22
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT
(Mycobacterium
tuberculosis) 		3 / 3 PRO A 152
LEU A 153
ARG A 220
 CIT  A1294 (-3.1A)
CIT  A1294 (-3.9A)
None
 0.84A 3aqiA-1uzrA:
undetectable		 3aqiA-1uzrA:
22.45
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.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 12 SER A 177
GLY A 201
SER A 218
ILE A 219
LEU A 224
 CIT  A 302 ( 2.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.0A)
 0.70A 3axzA-5faiA:
7.5		 3axzA-5faiA:
24.13
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.42A 3b7eA-1w8oA:
5.5		 3b7eA-1w8oA:
21.15
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.43A 3b7eB-1w8oA:
22.0		 3b7eB-1w8oA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B9M_A_AZZA1009_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 LYS A 195
LYS A 199
VAL A 241
HIS A 242
ARG A 257
 CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
 0.92A 3b9mA-1tf0A:
38.0		 3b9mA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 LEU A 219
ARG A 257
LEU A 260
ALA A 291
 None
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.57A 3b9mA-1tf0A:
38.0		 3b9mA-1tf0A:
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.
3BJ8_C_SPMC500_1
(DIAMINE
ACETYLTRANSFERASE 1)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		4 / 6 LEU A 147
ASP A  87
LEU A  84
HIS A  80
 None
None
None
CIT  A 326 (-3.9A)
 1.22A 3bj8C-3pkoA:
undetectable
3bj8D-3pkoA:
undetectable		 3bj8C-3pkoA:
19.46
3bj8D-3pkoA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_2
(PHOSPHOLIPASE A2)		 5h16 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Acinetobacter
baumannii) 		4 / 5 ILE A 133
SER A 130
PRO A  14
PHE A  12
 None
CIT  A 201 (-2.6A)
None
CIT  A 201 (-4.0A)
 0.94A 3bjwC-5h16A:
undetectable		 3bjwC-5h16A:
18.49
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.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 11 LEU A  80
ALA A 111
ALA A 219
VAL A  55
LEU A  15
 NAD  A 242 (-4.1A)
CIT  A1585 ( 3.1A)
NAD  A 242 (-3.2A)
None
None
 1.09A 3bszE-2dc1A:
undetectable		 3bszE-2dc1A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 SER A 251
GLU A 277
ASP A 248
 None
NAP  A1002 (-3.5A)
CIT  A1585 (-3.2A)
 0.83A 3bwmA-2d1cA:
undetectable		 3bwmA-2d1cA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		3 / 3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.85A 3bwmA-2pqfA:
undetectable		 3bwmA-2pqfA:
21.83
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.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		3 / 3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.86A 3bwyA-2pqfA:
undetectable		 3bwyA-2pqfA:
21.83
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 3ckzA-1w8oA:
22.1		 3ckzA-1w8oA:
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 9 PHE A  35
VAL A  32
GLY A  82
TYR A  79
GLY A  27
 None
None
CIT  A 501 ( 4.6A)
None
None
 1.12A 3csjB-1m0sA:
undetectable		 3csjB-1m0sA:
18.99
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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.08A 3d1zB-3rcmA:
undetectable		 3d1zB-3rcmA:
15.09
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 3mlp TRANSCRIPTION FACTOR
COE1
(Mus
musculus) 		4 / 8 GLY A  91
ILE A 108
SER A 178
THR A 156
 CIT  A   3 (-3.4A)
None
None
None
 0.70A 3d41A-3mlpA:
undetectable		 3d41A-3mlpA:
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.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.29A 3dqtA-3gz7A:
undetectable
3dqtB-3gz7A:
undetectable		 3dqtA-3gz7A:
13.69
3dqtB-3gz7A:
13.69
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		 4k7g 3-HYDROXYPROLINE
DEHYDRATSE
(Agrobacterium
vitis) 		5 / 11 CYH B 225
ALA B 245
LEU B 194
ALA B 179
VAL B 177
 None
None
None
None
CIT  B 901 (-4.1A)
 1.08A 3e22B-4k7gB:
undetectable		 3e22B-4k7gB:
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.
3E22_D_LOCD700_2
(TUBULIN BETA-2B
CHAIN)		 4k7g 3-HYDROXYPROLINE
DEHYDRATSE
(Agrobacterium
vitis) 		5 / 11 CYH B 225
ALA B 245
LEU B 194
ALA B 179
VAL B 177
 None
None
None
None
CIT  B 901 (-4.1A)
 1.06A 3e22D-4k7gB:
undetectable		 3e22D-4k7gB:
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE
(Thermotoga
maritima) 		3 / 3 TYR A 112
ASP A  30
HIS A 117
 CIT  A1589 (-4.6A)
None
CIT  A1589 (-4.3A)
 0.92A 3e23A-4conA:
undetectable		 3e23A-4conA:
14.55
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE
(Burkholderia
cenocepacia) 		3 / 3 TYR A 324
ASP A 158
HIS A 184
 EDO  A 403 ( 4.0A)
EDO  A 403 (-3.6A)
CIT  A 401 (-4.0A)
 0.89A 3e23A-4lc3A:
1.9		 3e23A-4lc3A:
20.46
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 4jbd PROLINE RACEMASE
(Pseudomonas
putida) 		3 / 3 ALA A  62
THR A  16
CYH A  88
 None
None
CIT  A 401 (-3.8A)
 0.77A 3e4eB-4jbdA:
undetectable		 3e4eB-4jbdA:
21.76
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.
3EKP_B_478B200_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 8 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.11A 3ekpA-1m0sA:
undetectable		 3ekpA-1m0sA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_D_017D200_2
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 11 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.09A 3ektD-1m0sA:
undetectable		 3ektD-1m0sA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKW_B_DR7B100_2
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.91A 3ekwB-1m0sA:
undetectable		 3ekwB-1m0sA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 11 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.95A 3el1A-1m0sA:
undetectable		 3el1A-1m0sA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_1
(PROTEASE)		 4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY
(Yersinia
frederiksenii) 		5 / 12 GLY A 261
GLY A 267
ILE A 269
PRO A 138
VAL A 102
 CIT  A 401 (-3.5A)
None
None
None
None
 0.90A 3el4A-4n7wA:
undetectable		 3el4A-4n7wA:
15.64
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.
3ELZ_B_CHDB200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1wdi HYPOTHETICAL PROTEIN
TT0907
(Thermus
thermophilus) 		4 / 5 PRO A 236
VAL A 239
THR A 258
GLY A 257
 None
None
CIT  A1322 (-3.0A)
CIT  A1322 (-3.2A)
 0.90A 3elzB-1wdiA:
undetectable		 3elzB-1wdiA:
16.86
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.
3EZ3_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.92A 3ez3D-3pkoA:
25.4		 3ez3D-3pkoA:
26.30
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 10 ASN A 206
VAL A 177
ALA A 111
ILE A 112
LEU A 167
 None
None
CIT  A1585 ( 3.1A)
None
None
 1.15A 3fl9F-2dc1A:
undetectable		 3fl9F-2dc1A:
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY
(Yersinia
frederiksenii) 		5 / 12 GLY A 261
GLY A 279
ILE A 197
LEU A 266
VAL A  34
 CIT  A 401 (-3.5A)
None
CIT  A 401 (-3.8A)
None
None
 1.15A 3fzgA-4n7wA:
undetectable		 3fzgA-4n7wA:
20.90
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.
3HKU_A_TORA300_2
(CARBONIC ANHYDRASE 2)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		3 / 3 GLU A  62
HIS A 212
THR A 131
 None
CIT  A 303 (-4.6A)
None
 0.74A 3hkuA-3p6lA:
undetectable		 3hkuA-3p6lA:
24.25
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.30A 3hlwA-3mfdA:
22.4		 3hlwA-3mfdA:
23.73
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.52A 3hlwA-3rjuA:
15.2		 3hlwA-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		9 / 12 LYS A  65
TYR A  97
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.54A 3hlwA-5eoeA:
40.5		 3hlwA-5eoeA:
41.42
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.27A 3hlwB-3mfdA:
22.4		 3hlwB-3mfdA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 209
LYS A 227
THR A 228
GLY A 229
SER A 230
GLY A 235
 CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
None
 1.21A 3hlwB-5eoeA:
40.5		 3hlwB-5eoeA:
41.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		9 / 12 TYR A  97
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
SER A 230
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.49A 3hlwB-5eoeA:
40.5		 3hlwB-5eoeA:
41.42
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 LYS A  63
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.4A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.26A 3huoA-3mfdA:
22.4		 3huoA-3mfdA:
23.73
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 LYS A  62
ASN A 158
LYS A 299
THR A 300
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
None
 0.47A 3huoA-3rjuA:
15.2		 3huoA-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 LYS A  65
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.37A 3huoA-5eoeA:
40.7		 3huoA-5eoeA:
41.42
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.48A 3huoB-3rjuA:
15.2		 3huoB-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 LYS A  65
ASN A 125
ASN A 163
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.34A 3huoB-5eoeA:
40.7		 3huoB-5eoeA:
41.42
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 PHE A 131
HIS A 133
GLY A  38
LEU A  36
ASP A 209
 None
ZN  A 288 ( 3.2A)
None
None
CIT  A 289 (-3.3A)
 1.21A 3i5uA-3rcmA:
undetectable		 3i5uA-3rcmA:
24.59
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 ARG A 104
ILE A  25
THR A  38
 CIT  A1585 (-3.1A)
None
None
 0.67A 3ia4D-2d1cA:
1.5		 3ia4D-2d1cA:
16.91
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.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 3v85 CYTH-LIKE
PHOSPHATASE
(Arabidopsis
thaliana) 		3 / 3 LYS A 200
ILE A 182
PHE A 185
 CIT  A 301 (-2.8A)
None
None
 0.93A 3j7zS-3v85A:
undetectable
3j7za-3v85A:
undetectable		 3j7zS-3v85A:
19.62
3j7za-3v85A:
5.29
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 12 ILE A  55
GLY A  29
ALA A  82
ASP A  33
ALA A  58
 None
CIT  A1001 (-3.1A)
None
CIT  A1001 (-2.9A)
None
 1.00A 3jb1A-1u11A:
undetectable		 3jb1A-1u11A:
11.18
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		 1dmg RIBOSOMAL PROTEIN L4
(Thermotoga
maritima) 		3 / 3 GLU A 161
ASP A 183
ASP A 216
 None
CIT  A 510 (-2.9A)
None
 0.63A 3jb2A-1dmgA:
undetectable		 3jb2A-1dmgA:
12.25
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.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 6 ARG C 421
SER C 339
ASP C 234
TYR C 149
 CIT  C 501 (-2.9A)
None
None
None
 1.45A 3jqaA-4gypC:
undetectable		 3jqaA-4gypC:
23.17
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.
3JQA_B_DX4B270_0
(PTERIDINE REDUCTASE
1)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 6 ARG C 421
SER C 339
ASP C 234
TYR C 149
 CIT  C 501 (-2.9A)
None
None
None
 1.43A 3jqaB-4gypC:
undetectable		 3jqaB-4gypC:
23.17
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.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 6 ARG C 421
SER C 339
ASP C 234
TYR C 149
 CIT  C 501 (-2.9A)
None
None
None
 1.43A 3jqaC-4gypC:
undetectable		 3jqaC-4gypC:
23.17
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.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 6 ARG C 421
SER C 339
ASP C 234
TYR C 149
 CIT  C 501 (-2.9A)
None
None
None
 1.43A 3jqaD-4gypC:
undetectable		 3jqaD-4gypC:
23.17
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME
(Arabidopsis
thaliana) 		5 / 12 GLU A 220
GLY A 249
ALA A  65
ASP A 358
GLY A 184
 None
None
None
CIT  A 502 (-3.6A)
SNN  A 176 ( 3.5A)
 0.84A 3jzjA-5nijA:
undetectable		 3jzjA-5nijA:
12.11
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.71A 3k2hA-3v8hA:
34.2		 3k2hA-3v8hA:
20.96
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.91A 3k2hA-3v8hA:
34.2		 3k2hA-3v8hA:
20.96
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ALA A  51
SER A  54
GLU A  58
TRP A  80
LEU A 189
 None
None
None
None
CIT  A 400 (-4.3A)
 0.76A 3k2hA-3v8hA:
34.2		 3k2hA-3v8hA:
20.96
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.37A 3k2hA-3v8hA:
34.2		 3k2hA-3v8hA:
20.96
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 1.04A 3k2hA-3v8hA:
34.2		 3k2hA-3v8hA:
20.96
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ALA A  51
SER A  54
TRP A  80
LEU A 189
PHE A 224
 None
None
None
CIT  A 400 (-4.3A)
None
 0.91A 3k2hA-3v8hA:
34.2		 3k2hA-3v8hA:
20.96
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 12 ALA A 100
SER A  99
ILE A  64
LEU A 107
GLY A 106
 CIT  A 401 (-3.8A)
CIT  A 401 (-2.8A)
None
None
None
 1.11A 3k2hA-4rpfA:
undetectable		 3k2hA-4rpfA:
18.16
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.73A 3k2hB-3v8hA:
34.6		 3k2hB-3v8hA:
20.96
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.91A 3k2hB-3v8hA:
34.6		 3k2hB-3v8hA:
20.96
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 0.91A 3k2hB-3v8hA:
34.6		 3k2hB-3v8hA:
20.96
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.37A 3k2hB-3v8hA:
34.6		 3k2hB-3v8hA:
20.96
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 1.05A 3k2hB-3v8hA:
34.6		 3k2hB-3v8hA:
20.96
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.05A 3k2hB-3v8hA:
34.6		 3k2hB-3v8hA:
20.96
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.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 12 ALA A 100
SER A  99
ILE A  64
LEU A 107
GLY A 106
 CIT  A 401 (-3.8A)
CIT  A 401 (-2.8A)
None
None
None
 1.11A 3k2hB-4rpfA:
undetectable		 3k2hB-4rpfA:
18.16
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2
(Streptococcus
pneumoniae) 		3 / 3 SER A  46
GLY A  47
THR A  48
 CIT  A 302 (-2.5A)
CIT  A 302 (-3.2A)
CIT  A 302 (-3.3A)
 0.08A 3k9wA-4h1xA:
undetectable		 3k9wA-4h1xA:
22.43
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE
(Burkholderia
cenocepacia) 		3 / 3 SER A  60
GLY A  61
THR A  62
 CIT  A 401 (-3.8A)
CIT  A 401 (-3.5A)
CIT  A 401 ( 3.7A)
 0.22A 3k9wA-4lc3A:
undetectable		 3k9wA-4lc3A:
23.10
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 4bm1 MANGANESE PEROXIDASE
4
(Pleurotus
ostreatus) 		5 / 12 HIS A 191
GLY A 231
GLY A 217
ALA A 189
ASP A 182
 None
CIT  A1349 (-3.6A)
None
None
HEM  A 500 (-4.7A)
 1.12A 3keeD-4bm1A:
undetectable		 3keeD-4bm1A:
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3p4e PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE
(Vibrio
cholerae) 		4 / 8 ASN A 193
SER A 246
HIS A 247
ARG A 259
 CIT  A 503 (-3.9A)
None
None
None
 1.07A 3kp2A-3p4eA:
undetectable
3kp2B-3p4eA:
undetectable		 3kp2A-3p4eA:
19.53
3kp2B-3p4eA:
19.53
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens) 		4 / 5 ASN A 290
ALA A 293
ALA A 292
ARG A 295
 None
None
None
CIT  A 703 (-3.1A)
 1.16A 3kp2B-6fcxA:
undetectable		 3kp2B-6fcxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_B_URFB254_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 6 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.01A 3kvvB-3p6lA:
undetectable		 3kvvB-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_C_URFC254_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 6 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.02A 3kvvC-3p6lA:
undetectable		 3kvvC-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_D_URFD254_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 6 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.97A 3kvvD-3p6lA:
undetectable		 3kvvD-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_E_URFE254_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 6 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.01A 3kvvE-3p6lA:
undetectable		 3kvvE-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_F_URFF254_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 6 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.99A 3kvvF-3p6lA:
undetectable		 3kvvF-3p6lA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LCV_B_SAMB301_1
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		3 / 3 ARG A 102
ASP A  42
GLN A  11
 GOL  A 289 (-2.7A)
CIT  A 272 (-3.7A)
None
 0.76A 3lcvB-3ch0A:
undetectable		 3lcvB-3ch0A:
19.54
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2q2h SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE
(Agrobacterium
fabrum) 		5 / 12 PHE A  81
ALA A  51
THR A  87
ILE A  38
ILE A  46
 CIT  A 601 (-4.6A)
None
None
None
None
 1.38A 3ld6A-2q2hA:
undetectable		 3ld6A-2q2hA:
15.25
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.
3LK0_D_Z80D92_1
(PROTEIN S100-B)		 1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE
(Escherichia
coli) 		3 / 3 HIS A  52
PHE A  79
PHE A  34
 CIT  A 401 (-3.8A)
None
None
 0.75A 3lk0D-1qmhA:
undetectable		 3lk0D-1qmhA:
10.37
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.
3LSF_H_PZIH800_0
(GLUTAMATE RECEPTOR 2)		 4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN
(Deinococcus
radiodurans) 		4 / 8 SER A  20
SER A 111
LEU A  13
ASP A  12
 None
CIT  A 301 (-2.6A)
CIT  A 301 (-4.2A)
CIT  A 301 ( 2.7A)
 0.98A 3lsfH-4eelA:
undetectable		 3lsfH-4eelA:
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 4o87 N-TAGGED NUCLEASE
(Millerozyma
acaciae) 		3 / 3 ASP A  18
ASN A  63
SER A  22
 None
CIT  A 501 (-4.6A)
None
 0.86A 3lslA-4o87A:
undetectable
3lslD-4o87A:
undetectable		 3lslA-4o87A:
22.42
3lslD-4o87A:
22.42
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 4o87 N-TAGGED NUCLEASE
(Millerozyma
acaciae) 		3 / 3 SER A  22
ASP A  18
ASN A  63
 None
None
CIT  A 501 (-4.6A)
 0.91A 3lslA-4o87A:
undetectable
3lslD-4o87A:
undetectable		 3lslA-4o87A:
22.42
3lslD-4o87A:
22.42
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		3 / 3 HIS A  91
HIS A  62
MET A  63
 None
CIT  A  97 (-3.6A)
None
 0.82A 3mihA-3gz7A:
2.4		 3mihA-3gz7A:
15.92
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.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2
(Streptococcus
pneumoniae) 		4 / 7 VAL A 261
VAL A 279
ILE A 111
ARG A  42
 None
None
None
CIT  A 302 (-3.1A)
 1.27A 3ms9B-4h1xA:
undetectable		 3ms9B-4h1xA:
21.57
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 3csw PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE
(Thermotoga
maritima) 		5 / 12 GLY A 165
VAL A 115
ALA A 143
GLU A 146
LEU A 155
 None
None
None
CIT  A 302 (-3.4A)
None
 1.06A 3mteB-3cswA:
undetectable		 3mteB-3cswA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
LYS A  63
ASN A 117
LEU A 158
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
None
None
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.44A 3mzeA-3mfdA:
34.9		 3mzeA-3mfdA:
30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
LYS A  63
ASN A 117
THR A 221
GLY A 222
THR A 224
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
None
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
None
 0.56A 3mzeA-3mfdA:
34.9		 3mzeA-3mfdA:
30.08
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
LYS A  62
ASN A 158
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.51A 3mzeA-3rjuA:
15.3		 3mzeA-3rjuA:
23.81
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.94A 3n45F-3pkoA:
25.6		 3n45F-3pkoA:
23.35
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.96A 3n45F-3pkoA:
25.6		 3n45F-3pkoA:
23.35
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.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.93A 3n46F-3pkoA:
25.6		 3n46F-3pkoA:
23.35
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.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.93A 3n46F-3pkoA:
25.6		 3n46F-3pkoA:
23.35
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.
3N5T_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 SER A   7
VAL A  89
ARG A  76
PHE A  83
 None
None
CIT  A  97 (-3.8A)
CIT  A  97 (-4.7A)
 1.20A 3n5tA-3gz7A:
undetectable
3n5tB-3gz7A:
undetectable		 3n5tA-3gz7A:
12.81
3n5tB-3gz7A:
12.81
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 TYR A  68
GLU A  84
ILE A  85
PHE A  98
ILE A  18
 CIT  A 123 (-4.9A)
None
None
IPA  A 126 ( 4.1A)
None
 1.15A 3ndiA-2r4iA:
undetectable		 3ndiA-2r4iA:
19.35
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.
3NDW_A_RITA100_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.89A 3ndwA-1m0sA:
undetectable		 3ndwA-1m0sA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDX_A_RITA100_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.89A 3ndxA-1m0sA:
undetectable		 3ndxA-1m0sA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
ASN A  83
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 3nrrA-3v8hA:
34.9		 3nrrA-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
ASN A  83
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.83A 3nrrA-3v8hA:
34.9		 3nrrA-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.83A 3nrrA-3v8hA:
34.9		 3nrrA-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
GLU A  58
TRP A  80
ASN A  83
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.93A 3nrrA-3v8hA:
34.9		 3nrrA-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.16A 3nrrA-3v8hA:
34.9		 3nrrA-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
TRP A  80
ASN A  83
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.09A 3nrrA-3v8hA:
34.9		 3nrrA-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 12 ALA A 100
SER A  99
ILE A  64
LEU A 107
GLY A 106
 CIT  A 401 (-3.8A)
CIT  A 401 (-2.8A)
None
None
None
 1.08A 3nrrA-4rpfA:
undetectable		 3nrrA-4rpfA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
ASN A  83
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.02A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
ASN A  83
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 ALA A  51
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.84A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ALA A  51
SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.15A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 12 ALA A 100
SER A  99
ILE A  64
LEU A 107
GLY A 106
 CIT  A 401 (-3.8A)
CIT  A 401 (-2.8A)
None
None
None
 1.09A 3nrrB-4rpfA:
undetectable		 3nrrB-4rpfA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens) 		4 / 7 PHE A  64
ARG A 295
ILE A 299
LEU A 333
 None
CIT  A 703 (-3.1A)
None
None
 1.17A 3nxuA-6fcxA:
undetectable		 3nxuA-6fcxA:
9.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.50A 3ny4A-5eoeA:
39.1		 3ny4A-5eoeA:
39.19
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.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 4cnm TROPHOBLAST
GLYCOPROTEIN
(Homo
sapiens) 		5 / 11 ASP A 148
LEU A 178
LEU A 149
ILE A 183
SER A 150
 CIT  A1356 ( 2.5A)
None
None
None
CIT  A1356 (-3.2A)
 1.23A 3o94A-4cnmA:
undetectable		 3o94A-4cnmA:
21.00
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 4cnm TROPHOBLAST
GLYCOPROTEIN
(Homo
sapiens) 		5 / 11 ASP A 148
LEU A 178
LEU A 149
ILE A 183
SER A 150
 CIT  A1356 ( 2.5A)
None
None
None
CIT  A1356 (-3.2A)
 1.28A 3o94B-4cnmA:
undetectable		 3o94B-4cnmA:
21.00
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.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 4cnm TROPHOBLAST
GLYCOPROTEIN
(Homo
sapiens) 		5 / 11 ASP A 148
LEU A 178
LEU A 149
ILE A 183
SER A 150
 CIT  A1356 ( 2.5A)
None
None
None
CIT  A1356 (-3.2A)
 1.26A 3o94C-4cnmA:
undetectable		 3o94C-4cnmA:
21.00
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.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 4cnm TROPHOBLAST
GLYCOPROTEIN
(Homo
sapiens) 		5 / 11 ASP A 148
LEU A 178
LEU A 149
ILE A 183
SER A 150
 CIT  A1356 ( 2.5A)
None
None
None
CIT  A1356 (-3.2A)
 1.25A 3o94D-4cnmA:
undetectable		 3o94D-4cnmA:
21.00
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.
3OGP_A_017A200_1
(FIV PROTEASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 9 GLY A  85
ALA A  84
ASP A  33
GLY A 136
ILE A 135
 CIT  A1001 (-4.3A)
CIT  A1001 (-3.8A)
CIT  A1001 (-2.9A)
None
None
 0.95A 3ogpA-1u11A:
undetectable		 3ogpA-1u11A:
18.99
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.
3OGP_B_017B200_2
(FIV PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 9 ASP A   5
GLY A   7
ASP A 209
GLY A 178
LEU A 232
 None
None
CIT  A 289 (-3.3A)
None
None
 1.03A 3ogpB-3rcmA:
undetectable		 3ogpB-3rcmA:
17.84
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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		 4wbd BSHC
(Bacillus
subtilis) 		4 / 8 ASP A 136
ASP A 134
GLN A  91
GLU A 139
 None
None
CIT  A 602 ( 3.3A)
None
 1.14A 3oyaA-4wbdA:
undetectable		 3oyaA-4wbdA:
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 3csw PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE
(Thermotoga
maritima) 		5 / 12 GLY A 165
VAL A 115
ALA A 143
GLU A 146
LEU A 155
 None
None
None
CIT  A 302 (-3.4A)
None
 0.94A 3p2kB-3cswA:
undetectable		 3p2kB-3cswA:
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		4 / 6 THR A 171
GLN A 173
GLN A 131
SER A 193
 None
CIT  A 272 ( 4.5A)
EDO  A 285 (-3.0A)
None
 0.88A 3peoG-3ch0A:
undetectable		 3peoG-3ch0A:
22.97
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.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)		 5viu ACETYLORNITHINE
AMINOTRANSFERASE
(Elizabethkingia
anophelis) 		5 / 11 VAL A 309
LEU A 314
LEU A 244
GLY A 265
ALA A 262
 None
None
CIT  A 509 (-4.2A)
None
None
 1.25A 3pghB-5viuA:
undetectable		 3pghB-5viuA:
21.59
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.
3PWM_B_017B402_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.03A 3pwmA-1m0sA:
undetectable		 3pwmA-1m0sA:
17.18
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.36A 3q07A-3mfdA:
22.3		 3q07A-3mfdA:
23.73
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.52A 3q07A-3rjuA:
15.2		 3q07A-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 LYS A  65
SER A 123
ASN A 125
THR A 161
ASN A 163
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.43A 3q07A-5eoeA:
40.7		 3q07A-5eoeA:
41.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  97
PRO A 160
THR A 164
THR A 228
 CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
 0.37A 3q07A-5eoeA:
40.7		 3q07A-5eoeA:
41.42
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.28A 3q07B-3mfdA:
22.5		 3q07B-3mfdA:
23.73
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.49A 3q07B-3rjuA:
15.1		 3q07B-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 LYS A  65
SER A 123
ASN A 125
THR A 161
ASN A 163
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.44A 3q07B-5eoeA:
40.7		 3q07B-5eoeA:
41.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  97
PRO A 160
THR A 164
THR A 228
 CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
 0.35A 3q07B-5eoeA:
40.7		 3q07B-5eoeA:
41.42
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Clostridium
perfringens) 		3 / 3 THR A  34
ASP A 126
GLU A  91
 CIT  A 243 (-3.9A)
None
AMP  A 242 (-4.2A)
 0.81A 3qowA-3nuaA:
undetectable		 3qowA-3nuaA:
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.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE
(Pyrococcus
horikoshii) 		5 / 12 ASN A  41
GLY A  13
PRO A  42
GLY A  43
ASP A 286
 None
CIT  A 401 (-3.2A)
None
None
None
 1.09A 3r24A-4o89A:
undetectable		 3r24A-4o89A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		5 / 12 TYR A  58
TRP A  89
HIS A 120
ASN A 159
TYR A 206
 CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
 0.19A 3r43A-3wczA:
42.5		 3r43A-3wczA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R58_A_NPSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		5 / 10 TYR A  58
HIS A 120
ASN A 159
TYR A 206
PRO A 307
 CIT  A 406 ( 3.2A)
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
EDO  A 405 ( 4.0A)
 0.31A 3r58A-3wczA:
42.5		 3r58A-3wczA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		5 / 12 TYR A  58
TRP A  89
HIS A 120
ASN A 159
TYR A 206
 CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
 0.23A 3r6iA-3wczA:
42.7		 3r6iA-3wczA:
40.56
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 12 ILE A 259
SER A 262
GLY A  95
SER A 183
THR A 184
 None
CIT  A 401 (-3.0A)
CIT  A 401 (-3.3A)
None
CIT  A 401 (-2.9A)
 1.39A 3r75A-4rpfA:
undetectable		 3r75A-4rpfA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 12 ILE A 259
SER A 262
GLY A  95
SER A 183
THR A 184
 None
CIT  A 401 (-3.0A)
CIT  A 401 (-3.3A)
None
CIT  A 401 (-2.9A)
 1.40A 3r75B-4rpfA:
undetectable		 3r75B-4rpfA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R8G_A_IZPA409_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		5 / 9 TYR A  58
HIS A 120
ASN A 159
TYR A 206
PRO A 307
 CIT  A 406 ( 3.2A)
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
EDO  A 405 ( 4.0A)
 0.36A 3r8gA-3wczA:
42.6		 3r8gA-3wczA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R94_A_FLRA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		5 / 12 TYR A  58
HIS A 120
ASN A 159
TYR A 206
PRO A 307
 CIT  A 406 ( 3.2A)
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
EDO  A 405 ( 4.0A)
 0.43A 3r94A-3wczA:
42.5		 3r94A-3wczA:
40.56
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.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		4 / 8 VAL A  89
ARG A  96
ILE A 102
GLN A 103
 None
CIT  A 326 ( 4.8A)
None
None
 0.96A 3remA-3pkoA:
1.1		 3remA-3pkoA:
14.78
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.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		4 / 8 VAL A  89
ARG A  96
ILE A 102
GLN A 103
 None
CIT  A 326 ( 4.8A)
None
None
 0.92A 3remB-3pkoA:
1.2		 3remB-3pkoA:
14.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S3G_A_TLTA317_1
(ALDOSE REDUCTASE)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 7 TRP A  23
TYR A  52
HIS A 110
PHE A 272
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 ( 4.9A)
 1.46A 3s3gA-1vbjA:
39.0		 3s3gA-1vbjA:
38.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S3G_A_TLTA317_1
(ALDOSE REDUCTASE)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 7 TRP A  23
TYR A  52
HIS A 110
TRP A 111
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 (-4.4A)
 0.27A 3s3gA-1vbjA:
39.0		 3s3gA-1vbjA:
38.99
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		 4wbd BSHC
(Bacillus
subtilis) 		4 / 7 ASP A 136
ASP A 134
GLN A  91
GLU A 139
 None
None
CIT  A 602 ( 3.3A)
None
 1.16A 3s3oA-4wbdA:
undetectable		 3s3oA-4wbdA:
21.99
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.
3S56_B_ROCB203_1
(PROTEASE)		 3ghf SEPTUM
SITE-DETERMINING
PROTEIN MINC
(Salmonella
enterica) 		4 / 7 LEU A  55
GLU A  22
LEU A  20
ILE A  28
 CIT  A 201 (-3.6A)
CIT  A 201 (-2.8A)
None
None
 0.82A 3s56B-3ghfA:
undetectable		 3s56B-3ghfA:
20.97
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		3 / 3 HIS C 338
SER C 346
ASN C 341
 CIT  C 501 (-3.9A)
None
CIT  C 501 ( 4.8A)
 0.88A 3s8pB-4gypC:
undetectable		 3s8pB-4gypC:
20.45
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 3sanA-1w8oA:
14.1		 3sanA-1w8oA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 3sanB-1w8oA:
5.6		 3sanB-1w8oA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.29A 3sh8A-3mfdA:
22.7		 3sh8A-3mfdA:
24.26
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.23A 3sh8A-3rjuA:
14.6		 3sh8A-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
TYR A  97
SER A 123
ASN A 125
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.42A 3sh8A-5eoeA:
37.9		 3sh8A-5eoeA:
35.53
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.37A 3sh8B-3mfdA:
22.5		 3sh8B-3mfdA:
24.26
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.37A 3sh8B-3rjuA:
14.6		 3sh8B-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  62
LYS A  65
SER A 123
ASN A 125
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.28A 3sh8B-5eoeA:
37.4		 3sh8B-5eoeA:
35.53
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1jeo HYPOTHETICAL PROTEIN
MJ1247
(Methanocaldococc
us
jannaschii) 		3 / 3 GLY A  91
GLY A  93
THR A  95
 CIT  A3000 (-3.6A)
None
CIT  A3000 (-3.5A)
 0.38A 3si7B-1jeoA:
undetectable		 3si7B-1jeoA:
21.35
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 1mld MALATE DEHYDROGENASE
(Sus
scrofa) 		5 / 8 ASN A 118
ASP A  87
GLY A 178
ILE A 181
THR A 211
 CIT  A 375 (-3.2A)
None
None
None
None
 1.28A 3so9A-1mldA:
undetectable		 3so9A-1mldA:
18.55
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)
(Acetobacter
aceti) 		5 / 8 GLY A  85
ALA A  84
ASP A  33
GLY A 136
ILE A 135
 CIT  A1001 (-4.3A)
CIT  A1001 (-3.8A)
CIT  A1001 (-2.9A)
None
None
 1.16A 3so9A-1u11A:
undetectable		 3so9A-1u11A:
21.08
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.
3SUE_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT
(Mycobacterium
tuberculosis) 		3 / 3 TYR A 235
LEU A 223
LYS A 224
 None
CIT  A1294 (-4.5A)
None
 0.36A 3sueD-1uzrA:
undetectable		 3sueD-1uzrA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_A_RTZA1_1
(CYTOCHROME P450 2D6)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		5 / 12 LEU A 479
GLY A 708
LEU A 686
GLU A 687
PHE A 709
 CIT  A1101 (-3.7A)
ACT  A1107 ( 4.2A)
None
None
None
 1.22A 3tbgA-1xf1A:
undetectable		 3tbgA-1xf1A:
18.41
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.
3TBG_C_RTZC1_1
(CYTOCHROME P450 2D6)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		5 / 12 LEU A 479
GLY A 708
LEU A 686
GLU A 687
PHE A 709
 CIT  A1101 (-3.7A)
ACT  A1107 ( 4.2A)
None
None
None
 1.20A 3tbgC-1xf1A:
0.0		 3tbgC-1xf1A:
18.41
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.39A 3ti5A-1w8oA:
5.5		 3ti5A-1w8oA:
19.05
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 3ti5B-1w8oA:
2.7		 3ti5B-1w8oA:
19.05
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 3ticA-1w8oA:
21.9		 3ticA-1w8oA:
21.28
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.43A 3ticB-1w8oA:
22.1		 3ticB-1w8oA:
21.28
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 3ticC-1w8oA:
21.9		 3ticC-1w8oA:
21.28
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 3ticD-1w8oA:
22.3		 3ticD-1w8oA:
21.28
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		 4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE
(Thermotoga
maritima) 		4 / 6 GLY A 439
VAL A 371
HIS A 114
THR A 437
 None
None
CIT  A1589 (-4.0A)
None
 1.11A 3tj7A-4conA:
undetectable
3tj7B-4conA:
undetectable		 3tj7A-4conA:
15.11
3tj7B-4conA:
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.
3TJ7_C_ACTC606_0
(GBAA_1210 PROTEIN)		 4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE
(Thermotoga
maritima) 		4 / 6 GLY A 439
VAL A 371
HIS A 114
THR A 437
 None
None
CIT  A1589 (-4.0A)
None
 1.09A 3tj7C-4conA:
undetectable
3tj7D-4conA:
undetectable		 3tj7C-4conA:
15.11
3tj7D-4conA:
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.
3TJ7_C_ACTC608_0
(GBAA_1210 PROTEIN)		 3v85 CYTH-LIKE
PHOSPHATASE
(Arabidopsis
thaliana) 		4 / 5 ARG A  54
LYS A  76
ARG A 143
GLU A   4
 CIT  A 301 (-2.8A)
CIT  A 301 (-2.8A)
CIT  A 301 (-3.0A)
CIT  A 301 ( 3.9A)
 1.39A 3tj7C-3v85A:
18.5		 3tj7C-3v85A:
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.
3TJ7_C_ACTC608_0
(GBAA_1210 PROTEIN)		 3v85 CYTH-LIKE
PHOSPHATASE
(Arabidopsis
thaliana) 		4 / 5 GLU A   2
ARG A  54
ARG A 143
GLU A   4
 CIT  A 301 ( 4.2A)
CIT  A 301 (-2.8A)
CIT  A 301 (-3.0A)
CIT  A 301 ( 3.9A)
 1.15A 3tj7C-3v85A:
18.5		 3tj7C-3v85A:
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.
3TJ7_C_ACTC608_0
(GBAA_1210 PROTEIN)		 3v85 CYTH-LIKE
PHOSPHATASE
(Arabidopsis
thaliana) 		5 / 5 GLU A   4
ARG A  54
LYS A  76
ARG A 143
GLU A 169
 CIT  A 301 ( 3.9A)
CIT  A 301 (-2.8A)
CIT  A 301 (-2.8A)
CIT  A 301 (-3.0A)
CIT  A 301 (-2.6A)
 0.81A 3tj7C-3v85A:
18.5		 3tj7C-3v85A:
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.
3TJ7_D_ACTD605_0
(GBAA_1210 PROTEIN)		 4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE
(Thermotoga
maritima) 		4 / 6 VAL A 371
HIS A 114
THR A 437
GLY A 439
 None
CIT  A1589 (-4.0A)
None
None
 1.06A 3tj7C-4conA:
undetectable
3tj7D-4conA:
undetectable		 3tj7C-4conA:
15.11
3tj7D-4conA:
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.
3U9F_L_CLML221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3no2 UNCHARACTERIZED
PROTEIN
(Bacteroides
caccae) 		5 / 12 CYH A 113
THR A 288
PHE A 186
SER A 287
SER A  59
 None
None
CIT  A   2 (-4.6A)
CIT  A   2 ( 4.6A)
None
 1.42A 3u9fJ-3no2A:
undetectable
3u9fL-3no2A:
undetectable		 3u9fJ-3no2A:
20.36
3u9fL-3no2A:
20.36
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.
3UA5_B_06XB501_1
(CYTOCHROME P450 2B6)		 3ghf SEPTUM
SITE-DETERMINING
PROTEIN MINC
(Salmonella
enterica) 		4 / 7 ILE A  90
ILE A  75
GLU A  63
VAL A  59
 None
None
CIT  A 201 (-3.6A)
CIT  A 201 (-3.8A)
 0.83A 3ua5B-3ghfA:
undetectable		 3ua5B-3ghfA:
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
GLY A   0
ASP A   2
 None
None
None
CIT  A 502 (-3.1A)
None
 0.98A 3uboA-6enoA:
undetectable		 3uboA-6enoA:
15.82
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.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 3uboB-6enoA:
undetectable		 3uboB-6enoA:
15.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 TYR A  52
TRP A  79
HIS A 110
ASN A 140
SER A 188
 CIT  A4001 ( 4.2A)
None
CIT  A4001 ( 3.7A)
NAP  A3001 (-3.2A)
NAP  A3001 (-3.0A)
 0.33A 3ug8A-1vbjA:
39.0		 3ug8A-1vbjA:
38.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		7 / 12 TYR A  58
TRP A  89
HIS A 120
ASN A 159
TYR A 206
SER A 207
PRO A 307
 CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
EDO  A 405 ( 4.0A)
 0.56A 3ug8A-3wczA:
42.6		 3ug8A-3wczA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 7 TYR A  52
ASN A 140
GLU A 163
TYR A 265
 CIT  A4001 ( 4.2A)
NAP  A3001 (-3.2A)
None
None
 0.25A 3ugrA-1vbjA:
38.7		 3ugrA-1vbjA:
38.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		4 / 7 TYR A  58
ASN A 159
GLU A 182
PRO A 307
 CIT  A 406 ( 3.2A)
NAP  A 401 ( 2.8A)
None
EDO  A 405 ( 4.0A)
 0.66A 3ugrA-3wczA:
42.4		 3ugrA-3wczA:
40.56
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 5 LEU A 229
MET A 148
PHE A 174
ASN A  38
 None
None
CIT  A1249 (-3.9A)
None
 1.42A 3uq6A-2xu2A:
2.4		 3uq6A-2xu2A:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 TRP A  80
LEU A 189
HIS A 193
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 3uwlB-3v8hA:
34.0		 3uwlB-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.04A 3uwlD-3v8hA:
33.1		 3uwlD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 TRP A  80
LEU A 189
HIS A 193
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 3uwlD-3v8hA:
33.1		 3uwlD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 8 TRP A  23
TRP A  79
HIS A 110
TRP A 111
 CIT  A4001 ( 3.8A)
None
CIT  A4001 ( 3.7A)
CIT  A4001 (-4.4A)
 0.27A 3v35A-1vbjA:
39.4		 3v35A-1vbjA:
38.99
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.
3V4T_E_ACTE502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		3 / 3 LYS A 199
ARG A 222
LEU A 238
 CIT  A2001 ( 2.7A)
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
 1.08A 3v4tE-1tf0A:
undetectable		 3v4tE-1tf0A:
21.86
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.
3V4T_E_ACTE502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		3 / 3 LYS A 302
ARG A 393
LEU A 497
 None
CIT  A1103 ( 3.7A)
None
 1.13A 3v4tE-1xf1A:
undetectable		 3v4tE-1xf1A:
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 ILE A 452
SER A 482
PHE A 448
ILE A 346
LEU A 347
 CIT  A 702 (-4.9A)
None
None
None
None
 1.04A 3w67C-4iuwA:
undetectable		 3w67C-4iuwA:
17.18
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.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 LEU A 218
SER A 216
ILE A 118
ILE A 202
VAL A 204
 None
CIT  A1585 (-2.6A)
None
None
None
 1.15A 3w67D-2dc1A:
undetectable		 3w67D-2dc1A:
25.68
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.
3W9T_A_W9TA1004_1
(HEMOLYTIC LECTIN
CEL-III)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 5 ASP A 105
GLU A 176
GLY A 169
GLU A 201
 CIT  A 265 (-4.2A)
None
None
CIT  A 265 (-2.8A)
 1.22A 3w9tA-3tb5A:
undetectable		 3w9tA-3tb5A:
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.
3W9T_C_W9TC1002_1
(HEMOLYTIC LECTIN
CEL-III)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 5 ASP A 105
GLU A 176
GLY A 169
GLU A 201
 CIT  A 265 (-4.2A)
None
None
CIT  A 265 (-2.8A)
 1.23A 3w9tC-3tb5A:
undetectable		 3w9tC-3tb5A:
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.
3W9T_D_W9TD512_1
(HEMOLYTIC LECTIN
CEL-III)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 5 ASP A 105
GLU A 176
GLY A 169
GLU A 201
 CIT  A 265 (-4.2A)
None
None
CIT  A 265 (-2.8A)
 1.22A 3w9tD-3tb5A:
undetectable		 3w9tD-3tb5A:
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.
3W9T_G_W9TG502_1
(HEMOLYTIC LECTIN
CEL-III)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 5 ASP A 105
GLU A 176
GLY A 169
GLU A 201
 CIT  A 265 (-4.2A)
None
None
CIT  A 265 (-2.8A)
 1.23A 3w9tG-3tb5A:
undetectable		 3w9tG-3tb5A:
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4k7g 3-HYDROXYPROLINE
DEHYDRATSE
(Agrobacterium
vitis) 		4 / 5 GLY B 198
THR B 202
ILE B 176
VAL B 175
 None
None
CIT  B 901 (-4.2A)
None
 0.90A 3wriA-4k7gB:
undetectable		 3wriA-4k7gB:
23.27
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.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4k7g 3-HYDROXYPROLINE
DEHYDRATSE
(Agrobacterium
vitis) 		4 / 5 GLY B 198
THR B 202
ILE B 176
VAL B 175
 None
None
CIT  B 901 (-4.2A)
None
 0.89A 3wriB-4k7gB:
undetectable		 3wriB-4k7gB:
23.27
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.
3ZQE_B_DXCB1079_0
(PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD)		 1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE
(Escherichia
coli) 		5 / 11 GLN A 104
THR A 105
LEU A  24
ARG A  40
GLN A  18
 None
None
None
CIT  A 401 (-3.6A)
None
 1.42A 3zqeA-1qmhA:
undetectable
3zqeB-1qmhA:
0.0		 3zqeA-1qmhA:
22.84
3zqeB-1qmhA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 9 GLY A  40
GLY A  41
SER A 148
GLY A  74
TYR A  46
 CIT  A 347 (-3.8A)
None
CIT  A 347 (-3.6A)
CIT  A 347 (-3.2A)
CIT  A 347 (-3.3A)
 1.11A 3ztvA-3qslA:
undetectable		 3ztvA-3qslA:
21.86
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.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 5 LEU A  26
HIS A 178
GLU A 177
HIS A 339
 None
CIT  A1366 (-3.0A)
None
None
 1.36A 4a7bB-2c6xA:
undetectable		 4a7bB-2c6xA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ARG A 135
HIS A 133
ALA A 166
HIS A 158
ASP A 209
 CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
None
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
 1.17A 4aqlA-3rcmA:
15.3		 4aqlA-3rcmA:
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.44A 4b7nA-1w8oA:
22.0		 4b7nA-1w8oA:
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.
4B7Q_A_ZMRA601_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.47A 4b7qA-1w8oA:
11.7		 4b7qA-1w8oA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_A_ZMRA601_2
(NEURAMINIDASE)		 5h16 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Acinetobacter
baumannii) 		3 / 3 ARG A  52
ARG A 134
ILE A  37
 None
CIT  A 201 ( 4.0A)
None
 0.93A 4b7qA-5h16A:
undetectable		 4b7qA-5h16A:
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.52A 4b7qB-1w8oA:
22.1		 4b7qB-1w8oA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.37A 4b7qC-1w8oA:
22.0		 4b7qC-1w8oA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.53A 4b7qD-1w8oA:
22.2		 4b7qD-1w8oA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2x7i MEVALONATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  98
GLY A 271
SER A 273
GLY A  35
ASP A 178
 CIT  A1307 (-3.3A)
CL  A1308 ( 4.9A)
None
None
None
 1.19A 4blvB-2x7iA:
undetectable		 4blvB-2x7iA:
23.80
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY
(Yersinia
frederiksenii) 		5 / 12 HIS A 226
GLY A 256
SER A 233
HIS A 286
GLY A 100
 None
None
None
CIT  A 401 (-4.0A)
None
 1.12A 4blvB-4n7wA:
undetectable		 4blvB-4n7wA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_A_X8ZA350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		6 / 9 HIS A  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.31A 4c1dA-5b3rA:
31.7		 4c1dA-5b3rA:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		7 / 10 HIS A  95
HIS A  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.38A 4c1dB-5b3rA:
31.6		 4c1dB-5b3rA:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		7 / 11 HIS A  95
HIS A  97
ASP A  99
HIS A 157
CYH A 176
LYS A 179
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-2.6A)
ZN  A2002 ( 3.0A)
 0.28A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		6 / 11 HIS A  95
HIS A  97
HIS A 157
LYS A 179
ASN A 185
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
ZN  A2001 ( 3.3A)
CIT  A2003 (-2.6A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.70A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		5 / 11 VAL A  49
HIS A  95
HIS A  97
ASP A  99
HIS A 157
 None
ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
 1.13A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		5 / 11 VAL A  49
HIS A  95
HIS A  97
HIS A 157
ASN A 185
 None
ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
ZN  A2001 ( 3.3A)
CIT  A2003 (-4.0A)
 1.08A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		7 / 9 HIS A  95
HIS A  97
ASP A  99
HIS A 157
CYH A 176
GLY A 184
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-3.6A)
ZN  A2002 ( 3.0A)
 0.68A 4c1hA-5b3rA:
31.3		 4c1hA-5b3rA:
35.37
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.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		4 / 8 GLY A 203
GLY A 201
MET A 207
VAL A 210
 CIT  A 401 (-3.6A)
EDO  A 403 ( 4.8A)
None
None
 0.81A 4c5nC-5tnxA:
7.1		 4c5nC-5tnxA:
23.10
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.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 128
THR A 166
LEU A 115
GLY A 113
VAL A 163
 None
None
None
None
CIT  A1585 (-4.1A)
 1.02A 4c9lB-2dc1A:
undetectable		 4c9lB-2dc1A:
24.15
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 128
THR A 166
LEU A 115
GLY A 113
VAL A 163
 None
None
None
None
CIT  A1585 (-4.1A)
 1.02A 4c9oA-2dc1A:
undetectable		 4c9oA-2dc1A:
23.10
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.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 128
THR A 166
LEU A 115
GLY A 113
VAL A 163
 None
None
None
None
CIT  A1585 (-4.1A)
 1.02A 4c9oB-2dc1A:
undetectable		 4c9oB-2dc1A:
23.10
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.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 1vkf GLYCEROL UPTAKE
OPERON
ANTITERMINATOR-RELAT
ED PROTEIN
(Thermotoga
maritima) 		5 / 12 ILE A   6
ALA A 143
ILE A  76
PHE A  24
THR A 139
 None
CIT  A 501 (-3.4A)
None
None
None
 1.29A 4cd2A-1vkfA:
undetectable		 4cd2A-1vkfA:
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.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.39A 4cpnA-1w8oA:
25.7		 4cpnA-1w8oA:
21.22
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.38A 4cpnB-1w8oA:
25.9		 4cpnB-1w8oA:
21.22
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.39A 4cpzA-1w8oA:
25.7		 4cpzA-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.36A 4cpzB-1w8oA:
7.8		 4cpzB-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.39A 4cpzC-1w8oA:
9.1		 4cpzC-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.33A 4cpzD-1w8oA:
25.9		 4cpzD-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 4cpzE-1w8oA:
5.5		 4cpzE-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 4cpzF-1w8oA:
25.8		 4cpzF-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.38A 4cpzG-1w8oA:
25.9		 4cpzG-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.47A 4cpzH-1w8oA:
25.6		 4cpzH-1w8oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 2hau SEROTRANSFERRIN
(Homo
sapiens) 		4 / 6 THR A 457
TYR A 655
HIS A 585
TYR A 426
 CIT  A9202 (-3.9A)
None
CIT  A9202 (-4.0A)
CIT  A9202 (-4.5A)
 1.31A 4df2A-2hauA:
undetectable		 4df2A-2hauA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DX5_B_MIYB1103_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE
(Burkholderia
cenocepacia) 		5 / 12 SER A  60
GLY A  68
ASP A 158
ALA A 128
VAL A  80
 CIT  A 401 (-3.8A)
None
EDO  A 403 (-3.6A)
None
None
 0.98A 4dx5B-4lc3A:
undetectable		 4dx5B-4lc3A:
17.20
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.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 8 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.99A 4e1vA-3p6lA:
undetectable		 4e1vA-3p6lA:
21.75
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.
4E1V_B_URFB1301_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 7 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 0.97A 4e1vB-3p6lA:
undetectable		 4e1vB-3p6lA:
21.75
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.
4E1V_F_URFF1301_1
(URIDINE
PHOSPHORYLASE)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 6 GLY A 103
GLN A  37
ILE A 101
VAL A 102
 None
CIT  A 303 ( 3.9A)
None
None
 1.01A 4e1vF-3p6lA:
undetectable		 4e1vF-3p6lA:
21.75
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.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.06A 4e3aA-6enoA:
undetectable		 4e3aA-6enoA:
14.37
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		6 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
GLY A   0
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
CIT  A 502 (-3.1A)
None
 1.10A 4e3aB-6enoA:
undetectable		 4e3aB-6enoA:
14.37
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.
4EAH_A_ACTA1002_0
(ACTIN, ALPHA
SKELETAL MUSCLE
FORMIN-LIKE PROTEIN
3)		 3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE
(Parabacteroides
distasonis) 		4 / 5 THR A 131
GLN A  37
GLU A  62
THR A 104
 None
CIT  A 303 ( 3.9A)
None
None
 1.20A 4eahA-3p6lA:
1.1
4eahE-3p6lA:
0.0
4eahG-3p6lA:
undetectable		 4eahA-3p6lA:
22.01
4eahE-3p6lA:
22.01
4eahG-3p6lA:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.66A 4eb4A-3v8hA:
34.1		 4eb4A-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 4eb4A-3v8hA:
34.1		 4eb4A-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.66A 4eb4B-3v8hA:
34.1		 4eb4B-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 4eb4B-3v8hA:
34.1		 4eb4B-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 9 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.69A 4eb4C-3v8hA:
34.2		 4eb4C-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 9 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.87A 4eb4C-3v8hA:
34.2		 4eb4C-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.63A 4eb4D-3v8hA:
34.5		 4eb4D-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.77A 4eb4D-3v8hA:
34.5		 4eb4D-3v8hA:
34.68
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 LYS A  63
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.32A 4euzA-3mfdA:
21.8		 4euzA-3mfdA:
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 SER A 115
ASN A 117
LEU A 158
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.8A)
None
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.72A 4euzA-3mfdA:
21.8		 4euzA-3mfdA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 LYS A  65
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.36A 4euzA-5eoeA:
39.5		 4euzA-5eoeA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EXS_A_X8ZA301_1
(BETA-LACTAMASE NDM-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		6 / 9 VAL A  49
HIS A  97
ASP A  99
HIS A 157
CYH A 176
HIS A 215
 None
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
ZN  A2002 ( 3.0A)
 0.67A 4exsA-5b3rA:
30.5		 4exsA-5b3rA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		7 / 8 VAL A  49
HIS A  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 None
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.74A 4exsB-5b3rA:
31.2		 4exsB-5b3rA:
33.90
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3rza TRIPEPTIDASE
(Staphylococcus
aureus) 		5 / 12 GLY A 322
GLY A 323
TYR A 289
ILE A 338
PHE A 292
 CIT  A 407 (-3.5A)
CIT  A 407 (-3.8A)
CIT  A 407 (-4.6A)
None
None
 1.24A 4fglA-3rzaA:
undetectable
4fglB-3rzaA:
3.0		 4fglA-3rzaA:
22.00
4fglB-3rzaA:
22.00
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 10 SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
ALA A  59
 CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
CIT  A   1 ( 4.5A)
 1.45A 4fh2A-3mfdA:
22.9		 4fh2A-3mfdA:
23.76
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 10 ASN A 158
VAL A 273
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.7A)
CIT  A 391 (-4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.98A 4fh2A-3rjuA:
15.7		 4fh2A-3rjuA:
24.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 10 TYR A  97
SER A 123
ASN A 125
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.50A 4fh2A-5eoeA:
38.0		 4fh2A-5eoeA:
37.69
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		4 / 6 THR A 158
GLY A 156
ASN A 161
GLY A 184
 None
None
None
CIT  A2003 (-3.6A)
 0.90A 4fjpA-5b3rA:
undetectable		 4fjpA-5b3rA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 LYS A  48
SER A  54
LEU A 189
ASP A 217
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.78A 4fogA-3v8hA:
34.2		 4fogA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 LYS A  48
SER A  54
TRP A  80
LEU A 189
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.74A 4fogA-3v8hA:
34.2		 4fogA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 SER A  54
LEU A 189
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.97A 4fogA-3v8hA:
34.2		 4fogA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 SER A  54
TRP A  80
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.89A 4fogA-3v8hA:
34.2		 4fogA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.98A 4fogC-3v8hA:
34.4		 4fogC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
LEU A 189
ASP A 217
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.82A 4fogC-3v8hA:
34.4		 4fogC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
TRP A  80
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.95A 4fogC-3v8hA:
34.4		 4fogC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
TRP A  80
LEU A 189
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.73A 4fogC-3v8hA:
34.4		 4fogC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 LYS A  48
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.74A 4fogD-3v8hA:
34.6		 4fogD-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 LYS A  48
TRP A  80
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.76A 4fogD-3v8hA:
34.6		 4fogD-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 SER A  54
GLU A  58
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.94A 4foxA-3v8hA:
34.7		 4foxA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 0.91A 4foxA-3v8hA:
34.7		 4foxA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.19A 4foxA-3v8hA:
34.7		 4foxA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
LEU A 189
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 1.11A 4foxA-3v8hA:
34.7		 4foxA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.10A 4foxA-3v8hA:
34.7		 4foxA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 4foxB-3v8hA:
34.8		 4foxB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
GLU A  58
LEU A 189
ASP A 217
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.80A 4foxB-3v8hA:
34.8		 4foxB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 0.81A 4foxB-3v8hA:
34.8		 4foxB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.10A 4foxB-3v8hA:
34.8		 4foxB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
LEU A 189
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 1.11A 4foxB-3v8hA:
34.8		 4foxB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.07A 4foxB-3v8hA:
34.8		 4foxB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.03A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.80A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
GLU A  58
LEU A 189
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.89A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 0.92A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.12A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 1.14A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.10A 4foxC-3v8hA:
34.7		 4foxC-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.68A 4foxD-3v8hA:
34.4		 4foxD-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.40A 4foxD-3v8hA:
34.4		 4foxD-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 LYS A  48
SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.97A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 LYS A  48
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.84A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 LYS A  48
SER A  54
GLU A  58
TRP A  80
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.80A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 LYS A  48
SER A  54
TRP A  80
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.10A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.39A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.28A 4foxF-3v8hA:
34.6		 4foxF-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		7 / 12 SER A  54
GLU A  58
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.91A 4foxG-3v8hA:
34.6		 4foxG-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 0.85A 4foxG-3v8hA:
34.6		 4foxG-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.10A 4foxG-3v8hA:
34.6		 4foxG-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 SER A  54
LEU A 189
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 1.14A 4foxG-3v8hA:
34.6		 4foxG-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.07A 4foxG-3v8hA:
34.6		 4foxG-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 SER A  54
GLU A  58
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.71A 4foxH-3v8hA:
34.5		 4foxH-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 11 SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.39A 4foxH-3v8hA:
34.5		 4foxH-3v8hA:
36.53
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 2qik UPF0131 PROTEIN YKQA
(Bacillus
subtilis) 		5 / 12 HIS A 226
LEU A 191
GLY A 157
TYR A 192
ALA A 133
 None
None
None
None
CIT  A 301 (-3.9A)
 1.06A 4fqsA-2qikA:
undetectable		 4fqsA-2qikA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.54A 4fqsA-3v8hA:
34.6		 4fqsA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A 228
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.02A 4fqsA-3v8hA:
34.6		 4fqsA-3v8hA:
36.53
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.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 2qik UPF0131 PROTEIN YKQA
(Bacillus
subtilis) 		5 / 12 HIS A 226
LEU A 191
GLY A 157
TYR A 192
ALA A 133
 None
None
None
None
CIT  A 301 (-3.9A)
 1.07A 4fqsB-2qikA:
undetectable		 4fqsB-2qikA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.55A 4fqsB-3v8hA:
34.5		 4fqsB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A 228
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.02A 4fqsB-3v8hA:
34.5		 4fqsB-3v8hA:
36.53
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.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		3 / 3 TYR A 183
ARG A 345
HIS A 186
 None
CIT  A 379 (-2.8A)
CIT  A 379 (-3.8A)
 1.15A 4fubA-1a59A:
0.0		 4fubA-1a59A:
20.79
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.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		3 / 3 TYR A 185
ARG A 337
HIS A 188
 None
CIT  A1000 (-2.9A)
CIT  A1000 (-3.8A)
 1.11A 4fubA-1aj8A:
0.0		 4fubA-1aj8A:
19.89
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.
4G10_A_ACTA301_0
(GLUTATHIONE
S-TRANSFERASE
HOMOLOG)		 5ejh NAD KINASE 1
(Listeria
monocytogenes) 		4 / 6 PRO A 174
ILE A 243
TYR A  75
PHE A 245
 CIT  A 302 ( 4.5A)
None
NAP  A 301 (-4.3A)
None
 1.13A 4g10A-5ejhA:
undetectable		 4g10A-5ejhA:
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 GLY A 141
GLY A 146
ILE A 193
LEU A 196
PRO A 197
 CIT  A 402 ( 3.7A)
None
None
None
CIT  A 402 ( 4.8A)
 0.92A 4gc9A-4n18A:
5.5		 4gc9A-4n18A:
21.73
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.
4HLA_A_017A200_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.99A 4hlaA-1m0sA:
undetectable		 4hlaA-1m0sA:
22.40
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		3 / 3 TYR A 211
HIS A  80
ARG A  50
 CIT  A 326 (-4.6A)
CIT  A 326 (-3.9A)
CIT  A 326 (-2.6A)
 1.10A 4htfA-3pkoA:
undetectable		 4htfA-3pkoA:
24.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN
(Deinococcus
radiodurans) 		5 / 12 GLY A 179
GLY A 176
GLY A 175
LEU A  10
ALA A 184
 None
None
CIT  A 301 ( 4.3A)
None
None
 1.01A 4htfB-4eelA:
2.4		 4htfB-4eelA:
30.42
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		5 / 12 PHE A  61
VAL A  91
PRO A 101
SER A 298
GLY A  26
 None
None
None
CIT  A 400 (-4.9A)
None
 1.41A 4hvcA-3kx6A:
undetectable		 4hvcA-3kx6A:
23.40
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.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		5 / 12 LEU A 183
PHE A 415
GLU A 374
THR A 200
SER A 146
 None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
 1.12A 4hvcB-5uldA:
undetectable		 4hvcB-5uldA:
22.00
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.
4I00_A_ZMRA509_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 4i00A-1w8oA:
4.2		 4i00A-1w8oA:
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		3 / 3 ASP A 259
ARG A  68
THR A 226
 GOL  A1651 (-2.8A)
CIT  A1649 ( 2.6A)
None
 0.87A 4i13A-1w8oA:
undetectable		 4i13A-1w8oA:
13.64
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.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		4 / 7 THR A 258
LEU A 148
ASN A 230
LEU A 269
 None
None
None
CIT  A 400 (-4.0A)
 1.06A 4ib4A-3kx6A:
undetectable		 4ib4A-3kx6A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 1xjt LYSOZYME
(Escherichia
virus
P1) 		4 / 5 LYS A 168
ARG A 171
LEU A 153
ASP A 155
 None
None
None
CIT  A 250 (-4.1A)
 1.45A 4ifxA-1xjtA:
0.0		 4ifxA-1xjtA:
17.54
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.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 1xjt LYSOZYME
(Escherichia
virus
P1) 		4 / 5 LYS A 168
ARG A 171
LEU A 153
ASP A 155
 None
None
None
CIT  A 250 (-4.1A)
 1.41A 4ig1A-1xjtA:
undetectable		 4ig1A-1xjtA:
17.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.53A 4iqqB-3v8hA:
33.0		 4iqqB-3v8hA:
31.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.81A 4iqqB-3v8hA:
33.0		 4iqqB-3v8hA:
31.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.51A 4iqqC-3v8hA:
33.3		 4iqqC-3v8hA:
31.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.81A 4iqqC-3v8hA:
33.3		 4iqqC-3v8hA:
31.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 11 GLY A  95
ARG A 188
ALA A 185
VAL A 182
ILE A 259
 CIT  A 401 (-3.3A)
None
None
None
None
 1.31A 4j4vA-4rpfA:
undetectable		 4j4vA-4rpfA:
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.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.09A 4jkuB-6enoA:
undetectable		 4jkuB-6enoA:
14.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		4 / 8 VAL A  57
TYR A  58
TRP A  89
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 0.46A 4jq1B-3wczA:
42.7		 4jq1B-3wczA:
42.33
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.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3
(Rattus
norvegicus) 		4 / 8 VAL A  44
TYR A  45
HIS A 109
LEU A 227
 None
CIT  A1331 ( 4.6A)
CIT  A1331 (-4.0A)
None
 1.03A 4jtrA-1gveA:
23.4		 4jtrA-1gveA:
27.98
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.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		4 / 8 TYR A 131
TYR A 133
HIS A  97
LEU A  63
 CIT  A 379 (-3.9A)
CIT  A 379 (-4.3A)
None
CIT  A 379 (-4.6A)
 1.06A 4jtrA-3gm5A:
undetectable		 4jtrA-3gm5A:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		4 / 8 VAL A  57
TYR A  58
TRP A  89
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 0.19A 4jtrA-3wczA:
42.6		 4jtrA-3wczA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_B_IZPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		4 / 6 VAL A  57
TYR A  58
TRP A  89
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 0.21A 4jtrB-3wczA:
42.7		 4jtrB-3wczA:
42.33
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.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.23A 4k5jA-3gz7A:
undetectable
4k5jB-3gz7A:
undetectable		 4k5jA-3gz7A:
12.84
4k5jB-3gz7A:
12.84
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.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4k8pA-6enoA:
undetectable		 4k8pA-6enoA:
14.37
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.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4k8pB-6enoA:
undetectable		 4k8pB-6enoA:
14.37
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.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.06A 4k8tA-6enoA:
undetectable		 4k8tA-6enoA:
14.37
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.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4k8tB-6enoA:
undetectable		 4k8tB-6enoA:
14.37
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.
4K93_A_ADNA401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4k93A-6enoA:
undetectable		 4k93A-6enoA:
14.37
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.
4K93_B_ADNB402_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4k93B-6enoA:
undetectable		 4k93B-6enoA:
14.37
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.06A 4k9cA-6enoA:
undetectable		 4k9cA-6enoA:
14.37
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.
4K9C_B_ADNB401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4k9cB-6enoA:
undetectable		 4k9cB-6enoA:
14.37
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.
4K9I_A_ADNA401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.06A 4k9iA-6enoA:
undetectable		 4k9iA-6enoA:
14.37
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.
4K9I_B_ADNB401_1
(SUGAR KINASE)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4k9iB-6enoA:
undetectable		 4k9iB-6enoA:
14.37
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4kadA-6enoA:
undetectable		 4kadA-6enoA:
14.37
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.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4kadB-6enoA:
undetectable		 4kadB-6enoA:
14.37
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.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.90A 4kpdA-3pkoA:
25.4		 4kpdA-3pkoA:
25.83
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.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.90A 4kpdA-3pkoA:
25.4		 4kpdA-3pkoA:
25.83
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.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.92A 4kpjA-3pkoA:
25.4		 4kpjA-3pkoA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.91A 4kpjA-3pkoA:
25.4		 4kpjA-3pkoA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KQ5_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.94A 4kq5A-3pkoA:
25.4		 4kq5A-3pkoA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.92A 4kqsA-3pkoA:
25.5		 4kqsA-3pkoA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.90A 4kqsA-3pkoA:
25.5		 4kqsA-3pkoA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		4 / 6 ARG A  87
ARG A 276
GLU A 260
SER A 206
 CIT  A1649 (-3.0A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-3.6A)
None
 1.25A 4kr3A-1w8oA:
undetectable		 4kr3A-1w8oA:
22.44
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.
4KTT_C_SAMC404_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 GLU A 173
ASP A 169
ILE A 152
ILE A 131
 SO4  A 502 (-2.5A)
CIT  A 513 ( 4.9A)
None
None
 0.89A 4kttD-4nxkA:
undetectable		 4kttD-4nxkA:
20.09
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 12 PHE A 133
ALA A 134
LEU A 159
GLY A 111
MET A 110
 None
None
None
CIT  A 267 (-3.6A)
None
 1.14A 4kykA-3e4fA:
undetectable
4kykB-3e4fA:
undetectable		 4kykA-3e4fA:
19.78
4kykB-3e4fA:
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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 8 THR A 140
THR A 202
VAL A 181
VAL A 102
 CIT  A 302 (-3.9A)
None
None
None
 1.08A 4l4dA-2qpqA:
undetectable		 4l4dA-2qpqA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		5 / 12 LEU A 170
PRO A 173
ALA A 204
LEU A 331
LEU A 334
 None
None
CIT  A 401 (-4.0A)
None
None
 1.07A 4l9qB-5tnxA:
undetectable		 4l9qB-5tnxA:
20.98
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.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 4jbd PROLINE RACEMASE
(Pseudomonas
putida) 		5 / 9 ASP A 232
SER A 234
CYH A 236
GLY A 237
THR A 238
 None
None
CIT  A 401 ( 3.9A)
CIT  A 401 (-3.7A)
CIT  A 401 (-2.9A)
 0.40A 4lb0A-4jbdA:
23.4		 4lb0A-4jbdA:
29.32
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.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4lbxA-6enoA:
undetectable		 4lbxA-6enoA:
14.37
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.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4lbxB-6enoA:
undetectable		 4lbxB-6enoA:
14.37
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.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 4lc4A-6enoA:
undetectable		 4lc4A-6enoA:
14.37
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.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4lc4B-6enoA:
undetectable		 4lc4B-6enoA:
14.37
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.
4LF7_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		3 / 3 TYR A 370
ARG A 342
SER A 369
 CIT  A1649 (-4.5A)
CIT  A1649 ( 2.9A)
GOL  A1653 (-2.7A)
 1.11A 4lf7I-1w8oA:
undetectable
4lf7J-1w8oA:
undetectable		 4lf7I-1w8oA:
11.15
4lf7J-1w8oA:
10.43
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.
4LF8_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		3 / 3 TYR A 370
ARG A 342
SER A 369
 CIT  A1649 (-4.5A)
CIT  A1649 ( 2.9A)
GOL  A1653 (-2.7A)
 1.11A 4lf8I-1w8oA:
undetectable
4lf8J-1w8oA:
undetectable		 4lf8I-1w8oA:
11.15
4lf8J-1w8oA:
10.43
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.
4M7T_A_SAMA503_0
(BTRN)		 2dc1 L-ASPARTATE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 11 THR A 132
HIS A 189
LEU A 130
LEU A 167
SER A 168
 None
CIT  A1585 (-4.2A)
None
None
None
 1.31A 4m7tA-2dc1A:
0.9		 4m7tA-2dc1A:
21.69
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.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Agrobacterium
fabrum) 		4 / 7 TYR A 280
GLN A  20
LEU A  69
THR A 215
 None
None
CIT  A 402 (-3.9A)
CIT  A 402 (-4.0A)
 1.12A 4mbsA-3c9hA:
undetectable		 4mbsA-3c9hA:
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.
4MJR_A_0LAA404_1
(DNA POLYMERASE III
SUBUNIT BETA)		 6byf TYROSINE-PROTEIN
PHOSPHATASE SIW14
(Saccharomyces
cerevisiae) 		5 / 9 TYR A 243
THR A 221
GLY A 217
LEU A 155
VAL A 154
 None
None
CIT  A 301 (-4.0A)
None
None
 1.44A 4mjrA-6byfA:
undetectable		 4mjrA-6byfA:
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.
4MK4_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1mld MALATE DEHYDROGENASE
(Sus
scrofa) 		4 / 6 PHE A 156
ILE A 206
ARG A 152
VAL A 213
 None
None
CIT  A 375 (-2.8A)
None
 1.24A 4mk4B-1mldA:
2.3		 4mk4B-1mldA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		 3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE
(Escherichia
coli) 		4 / 7 ASN A  59
GLN A  57
GLU A 381
ARG A 246
 CIT  A 432 (-2.9A)
CIT  A 432 (-2.6A)
None
None
 0.78A 4mv7A-3bzmA:
undetectable		 4mv7A-3bzmA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.43A 4mwrA-1w8oA:
9.1		 4mwrA-1w8oA:
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.28A 4n9kA-3mfdA:
22.6		 4n9kA-3mfdA:
23.70
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.26A 4n9kA-3rjuA:
14.4		 4n9kA-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  62
TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.31A 4n9kA-5eoeA:
39.3		 4n9kA-5eoeA:
36.67
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 12 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.30A 4n9kB-3mfdA:
22.7		 4n9kB-3mfdA:
23.70
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 12 ALA A  58
SER A  59
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.22A 4n9kB-3rjuA:
4.8		 4n9kB-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.23A 4n9kB-5eoeA:
39.4		 4n9kB-5eoeA:
36.67
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.
4NJV_A_RITA500_1
(PROTEASE)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.03A 4njvA-1m0sA:
undetectable		 4njvA-1m0sA:
19.09
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.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.87A 4nkeA-3pkoA:
25.3		 4nkeA-3pkoA:
25.83
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.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.88A 4nkeA-3pkoA:
25.3		 4nkeA-3pkoA:
25.83
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.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.97A 4nkfA-3pkoA:
25.6		 4nkfA-3pkoA:
25.83
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4zve DIGUANYLATE CYCLASE
DOSC
(Escherichia
coli) 		4 / 5 ILE A 420
ARG A 450
ASP A 376
VAL A 370
 None
CIT  A 501 ( 3.2A)
CIT  A 501 (-3.6A)
None
 1.27A 4nkxD-4zveA:
undetectable		 4nkxD-4zveA:
17.58
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.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.89A 4nuaA-3pkoA:
25.4		 4nuaA-3pkoA:
25.58
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.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.90A 4nuaA-3pkoA:
25.4		 4nuaA-3pkoA:
25.58
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		4 / 7 ASP A 159
THR A 155
ARG A 189
HIS A 191
 None
None
None
CIT  A 301 (-4.2A)
 1.42A 4o4dA-4h0cA:
undetectable		 4o4dA-4h0cA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O8J_A_ADNA401_1
(RNA 3'-TERMINAL
PHOSPHATE CYCLASE)		 4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE
(Pyrococcus
horikoshii) 		11 / 12 GLN A  14
ARG A  17
LEU A  97
PRO A 127
PRO A 128
TYR A 131
ASP A 250
PHE A 283
ASP A 286
GLN A 287
HIS A 307
 None
CIT  A 401 (-3.0A)
None
None
None
None
None
None
None
None
None
 0.96A 4o8jA-4o89A:
56.9		 4o8jA-4o89A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O8J_B_ADNB401_1
(RNA 3'-TERMINAL
PHOSPHATE CYCLASE)		 4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE
(Pyrococcus
horikoshii) 		11 / 12 GLN A  14
ARG A  17
LEU A  97
PRO A 127
PRO A 128
TYR A 131
ASP A 250
PHE A 283
ASP A 286
GLN A 287
HIS A 307
 None
CIT  A 401 (-3.0A)
None
None
None
None
None
None
None
None
None
 1.01A 4o8jB-4o89A:
56.8		 4o8jB-4o89A:
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A  97
ILE A  93
GLY A 197
SER A  28
PHE A 199
 CIT  A 501 (-3.1A)
None
None
None
None
 1.26A 4obwC-1m0sA:
undetectable		 4obwC-1m0sA:
22.59
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.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.94A 4oguA-3pkoA:
25.4		 4oguA-3pkoA:
25.83
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.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.96A 4oguA-3pkoA:
25.4		 4oguA-3pkoA:
25.83
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.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		5 / 12 PHE A  61
VAL A  91
PRO A 101
SER A 298
GLY A  26
 None
None
None
CIT  A 400 (-4.9A)
None
 1.50A 4olfA-3kx6A:
undetectable		 4olfA-3kx6A:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LEU A 198
SER A 202
LEU A 347
ASP A 451
LEU A 481
 None
None
DKA  A1002 ( 4.3A)
CIT  A2001 ( 4.6A)
None
 0.82A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LEU A 198
SER A 202
TRP A 214
LEU A 347
ASP A 451
 None
None
None
DKA  A1002 ( 4.3A)
CIT  A2001 ( 4.6A)
 0.93A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.97A 4p0wA-3pkoA:
25.4		 4p0wA-3pkoA:
23.63
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 11 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 1.00A 4p0wA-3pkoA:
25.4		 4p0wA-3pkoA:
23.63
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		3 / 3 ASP A 259
ARG A  68
THR A 226
 GOL  A1651 (-2.8A)
CIT  A1649 ( 2.6A)
None
 0.90A 4p3rA-1w8oA:
undetectable		 4p3rA-1w8oA:
13.64
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 1zx4 PLASMID PARTITION
PAR B PROTEIN
(Escherichia
virus
P1) 		4 / 6 PHE A 199
ASP A 209
LEU A 213
THR A 261
 None
CIT  A1585 (-3.5A)
None
None
 1.35A 4paeA-1zx4A:
undetectable		 4paeA-1zx4A:
15.00
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2fqd BLUE COPPER OXIDASE
CUEO
(Escherichia
coli) 		4 / 7 ASP A 260
GLN A 451
PRO A 134
ILE A 454
 None
None
CIT  A 701 (-4.4A)
None
 0.97A 4pcuA-2fqdA:
undetectable		 4pcuA-2fqdA:
22.01
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2fqd BLUE COPPER OXIDASE
CUEO
(Escherichia
coli) 		4 / 7 ASP A 471
GLN A 451
PRO A 134
ILE A 454
 None
None
CIT  A 701 (-4.4A)
None
 0.99A 4pcuA-2fqdA:
undetectable		 4pcuA-2fqdA:
22.01
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4hfv UNCHARACTERIZED
PROTEIN
(Legionella
pneumophila) 		3 / 3 PRO A  50
VAL A  44
HIS A  26
 None
None
CIT  A 301 (-3.6A)
 0.83A 4pevC-4hfvA:
undetectable		 4pevC-4hfvA:
17.81
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 5cuy ACIDOCALCISOMAL
PYROPHOSPHATASE
(Trypanosoma
brucei) 		3 / 3 PRO A 274
VAL A 313
HIS A 336
 None
None
CIT  A 901 (-3.8A)
 0.66A 4pevC-5cuyA:
undetectable		 4pevC-5cuyA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4i4k UNCHARACTERIZED
PROTEIN SGCJ
(Streptomyces
globisporus) 		4 / 7 THR A  75
HIS A  63
LEU A  49
ASN A 134
 None
CIT  A 201 (-3.6A)
PG4  A 202 ( 4.6A)
PG4  A 202 (-3.4A)
 1.02A 4pfjA-4i4kA:
undetectable		 4pfjA-4i4kA:
16.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 209
LYS A 227
THR A 228
GLY A 229
SER A 230
GLY A 235
 CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
None
 1.23A 4pm5A-5eoeA:
40.7		 4pm5A-5eoeA:
41.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 TYR A  97
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
SER A 230
 CIT  A 303 (-4.1A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.52A 4pm5A-5eoeA:
40.7		 4pm5A-5eoeA:
41.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
SER A 230
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.71A 4pm5A-5eoeA:
40.7		 4pm5A-5eoeA:
41.42
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.74A 4pm7A-3mfdA:
22.3		 4pm7A-3mfdA:
24.79
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.50A 4pm7A-3rjuA:
14.8		 4pm7A-3rjuA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 LYS A  65
TYR A  97
ASN A 125
ASN A 163
THR A 209
LYS A 227
GLY A 229
 CIT  A 303 (-3.6A)
CIT  A 303 (-4.1A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.54A 4pm7A-5eoeA:
40.7		 4pm7A-5eoeA:
41.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 LYS A  65
TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
GLY A 229
 CIT  A 303 (-3.6A)
CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.75A 4pm7A-5eoeA:
40.7		 4pm7A-5eoeA:
41.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 TYR A  97
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-4.1A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.43A 4pm9A-5eoeA:
40.7		 4pm9A-5eoeA:
41.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.65A 4pm9A-5eoeA:
40.7		 4pm9A-5eoeA:
41.57
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 3rza TRIPEPTIDASE
(Staphylococcus
aureus) 		7 / 11 HIS A  79
ASP A 110
GLU A 143
GLU A 144
GLY A 321
GLY A 322
HIS A 347
 ZN  A 401 (-3.3A)
ZN  A 401 ( 2.5A)
ZN  A 401 ( 3.8A)
CA  A 402 (-2.2A)
IPA  A 408 (-3.6A)
CIT  A 407 (-3.5A)
CA  A 402 (-3.4A)
 0.56A 4pqaA-3rzaA:
35.2		 4pqaA-3rzaA:
24.82
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 3rza TRIPEPTIDASE
(Staphylococcus
aureus) 		7 / 11 HIS A  79
ASP A 110
GLU A 143
GLU A 144
GLY A 322
ILE A 346
HIS A 347
 ZN  A 401 (-3.3A)
ZN  A 401 ( 2.5A)
ZN  A 401 ( 3.8A)
CA  A 402 (-2.2A)
CIT  A 407 (-3.5A)
None
CA  A 402 (-3.4A)
 0.56A 4pqaA-3rzaA:
35.2		 4pqaA-3rzaA:
24.82
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.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		3 / 3 GLU A  74
THR A  84
HIS A  97
 CIT  A 379 (-2.9A)
None
None
 0.57A 4q15A-3gm5A:
undetectable		 4q15A-3gm5A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		3 / 3 GLU A  74
THR A  84
HIS A  97
 CIT  A 379 (-2.9A)
None
None
 0.55A 4q15B-3gm5A:
undetectable		 4q15B-3gm5A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		 2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT
(Streptococcus
mutans) 		5 / 12 PHE A 331
GLY A 279
SER A 373
ILE A 309
LEU A 306
 CIT  A 601 (-4.4A)
None
None
None
None
 1.01A 4qdjA-2hj0A:
3.8		 4qdjA-2hj0A:
19.12
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 12 ALA A  71
GLY A  20
ILE A 151
MET A 105
GLY A 106
 CIT  A 401 (-3.5A)
CIT  A 401 (-3.5A)
None
None
None
 1.06A 4r29D-2vxyA:
undetectable		 4r29D-2vxyA:
19.53
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.
4R29_D_SAMD301_1
(UNCHARACTERIZED
PROTEIN)		 2qeu PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE
(Paraburkholderia
xenovorans) 		3 / 3 ARG A  49
GLU A  80
TYR A  45
 CIT  A 146 (-3.8A)
CIT  A 146 ( 3.0A)
CIT  A 146 (-4.7A)
 0.96A 4r29D-2qeuA:
undetectable		 4r29D-2qeuA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 5a8j VWA2
(Sulfolobus
acidocaldarius) 		4 / 5 LEU A   8
VAL A 293
VAL A 242
ARG A 286
 None
None
None
CIT  A1373 (-3.9A)
 1.06A 4r7iA-5a8jA:
undetectable		 4r7iA-5a8jA:
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.
4R87_J_SPMJ202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3v85 CYTH-LIKE
PHOSPHATASE
(Arabidopsis
thaliana) 		4 / 7 GLU A  90
GLU A 171
GLU A   4
ARG A 143
 None
None
CIT  A 301 ( 3.9A)
CIT  A 301 (-3.0A)
 1.48A 4r87J-3v85A:
undetectable
4r87L-3v85A:
undetectable		 4r87J-3v85A:
23.00
4r87L-3v85A:
23.00
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2fqd BLUE COPPER OXIDASE
CUEO
(Escherichia
coli) 		4 / 4 ASN A 487
VAL A 516
THR A 450
ILE A 447
 CIT  A 701 (-3.5A)
None
None
None
 1.43A 4retA-2fqdA:
undetectable		 4retA-2fqdA:
19.62
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.
4RET_C_DGXC2005_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2fqd BLUE COPPER OXIDASE
CUEO
(Escherichia
coli) 		4 / 4 ASN A 487
VAL A 516
THR A 450
ILE A 447
 CIT  A 701 (-3.5A)
None
None
None
 1.43A 4retC-2fqdA:
undetectable		 4retC-2fqdA:
19.62
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.
4RFQ_A_SAMA401_1
(HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG)		 3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 THR A 434
GLY A 535
ASP A 538
SER A 479
 None
None
CIT  A 670 (-3.4A)
CIT  A   1 ( 4.4A)
 1.32A 4rfqA-3u1kA:
undetectable		 4rfqA-3u1kA:
19.72
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.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.88A 4rxdA-3pkoA:
24.7		 4rxdA-3pkoA:
25.67
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.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.89A 4rxdA-3pkoA:
24.7		 4rxdA-3pkoA:
25.67
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.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.87A 4rxdB-3pkoA:
25.0		 4rxdB-3pkoA:
25.67
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.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.89A 4rxdB-3pkoA:
25.0		 4rxdB-3pkoA:
25.67
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.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.87A 4rxdC-3pkoA:
25.0		 4rxdC-3pkoA:
25.67
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.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 10 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.87A 4rxdC-3pkoA:
25.0		 4rxdC-3pkoA:
25.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U3E_A_ACTA705_0
(RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE)		 4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE
(Thermotoga
maritima) 		4 / 4 HIS A 114
ASP A 115
TYR A 124
VAL A 371
 CIT  A1589 (-4.0A)
CIT  A1589 (-3.8A)
None
None
 0.18A 4u3eA-4conA:
52.6		 4u3eA-4conA:
97.02
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.
4U8V_B_MIYB1103_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4wbd BSHC
(Bacillus
subtilis) 		5 / 12 GLY A 352
ASN A  12
ALA A 349
PHE A 347
VAL A 374
 CIT  A 602 (-3.5A)
None
None
None
None
 1.06A 4u8vB-4wbdA:
4.0		 4u8vB-4wbdA:
19.72
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.
4U8Y_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4wbd BSHC
(Bacillus
subtilis) 		5 / 12 GLY A 352
ASN A  12
ALA A 349
PHE A 347
VAL A 374
 CIT  A 602 (-3.5A)
None
None
None
None
 1.08A 4u8yB-4wbdA:
3.5		 4u8yB-4wbdA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U95_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4wbd BSHC
(Bacillus
subtilis) 		5 / 12 GLY A 352
ASN A  12
ILE A 354
ALA A 349
VAL A 374
 CIT  A 602 (-3.5A)
None
None
None
None
 1.13A 4u95B-4wbdA:
5.2		 4u95B-4wbdA:
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		4 / 4 ALA A 206
VAL A 409
GLY A 193
THR A 200
 None
None
NA  A 501 (-3.4A)
CIT  A 503 (-3.6A)
 0.89A 4ubeA-5uldA:
undetectable		 4ubeA-5uldA:
24.67
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 4i6k AMIDOHYDROLASE
FAMILY PROTEIN
(Acinetobacter
baumannii) 		5 / 6 HIS A   9
HIS A  11
HIS A 134
HIS A 158
ASP A 226
 CIT  A 301 (-4.1A)
CIT  A 301 (-4.1A)
CIT  A 301 (-3.9A)
CIT  A 301 (-4.1A)
CIT  A 301 (-2.5A)
 1.02A 4ubpC-4i6kA:
11.4		 4ubpC-4i6kA:
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		6 / 12 THR A 194
GLY A  91
GLY A  40
GLY A  41
LEU A  78
ALA A  92
 CIT  A 347 ( 4.3A)
CIT  A 347 (-3.4A)
CIT  A 347 (-3.8A)
None
None
CIT  A 347 (-3.6A)
 1.25A 4uciA-3qslA:
undetectable		 4uciA-3qslA:
22.54
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.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		6 / 12 THR A 194
GLY A  91
GLY A  40
GLY A  41
LEU A  78
ALA A  92
 CIT  A 347 ( 4.3A)
CIT  A 347 (-3.4A)
CIT  A 347 (-3.8A)
None
None
CIT  A 347 (-3.6A)
 1.24A 4uciB-3qslA:
undetectable		 4uciB-3qslA:
22.54
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		4 / 6 LEU A 282
LEU A 269
THR A 233
VAL A 247
 None
CIT  A 400 (-4.0A)
None
None
 1.08A 4udaA-3kx6A:
undetectable		 4udaA-3kx6A:
22.80
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.
4UDC_A_DEXA1778_2
(GLUCOCORTICOID
RECEPTOR)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		3 / 3 MET A 118
GLN A 122
TYR A 131
 None
None
CIT  A 379 (-3.9A)
 1.09A 4udcA-3gm5A:
undetectable		 4udcA-3gm5A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		4 / 8 LEU A  84
ASP A  87
ARG A  96
LYS A 174
 None
None
CIT  A 326 ( 4.8A)
None
 0.99A 4umjA-3pkoA:
26.6		 4umjA-3pkoA:
27.56
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		4 / 8 LEU A  84
ASP A  91
ARG A  96
LYS A 174
 None
None
CIT  A 326 ( 4.8A)
None
 0.70A 4umjA-3pkoA:
26.6		 4umjA-3pkoA:
27.56
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.89A 4umjB-3pkoA:
26.7		 4umjB-3pkoA:
27.56
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 9 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.65A 4umjB-3pkoA:
26.7		 4umjB-3pkoA:
27.56
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 6 LEU C 205
LEU C 190
VAL C 187
PHE C 151
 None
None
None
CIT  C 501 ( 4.8A)
 1.04A 4uswA-4gypC:
undetectable		 4uswA-4gypC:
21.97
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.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 12 HIS A  95
SER A 148
PRO A 116
THR A 150
VAL A 153
 CIT  A 347 (-4.1A)
CIT  A 347 (-3.6A)
None
CIT  A 347 (-3.2A)
None
 1.41A 4v2gB-3qslA:
undetectable		 4v2gB-3qslA:
24.92
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 4wa5A-1w8oA:
22.6		 4wa5A-1w8oA:
21.79
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.
4WG0_L_CHDL103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 6eno DEHYDRATASE FAMILY
PROTEIN
(Carboxydothermus
hydrogenoformans) 		4 / 7 ASN A   3
LEU A   6
LEU A  10
GLU A  59
 CIT  A 502 (-3.8A)
None
None
None
 0.73A 4wg0L-6enoA:
undetectable
4wg0M-6enoA:
undetectable		 4wg0L-6enoA:
undetectable
4wg0M-6enoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		3 / 3 ASP A 209
GLY A   7
ASP A   5
 CIT  A 289 (-3.3A)
None
None
 0.64A 4xdtA-3rcmA:
undetectable		 4xdtA-3rcmA:
23.10
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.
4XP6_A_B40A601_1
(TRANSPORTER)		 3rqi RESPONSE REGULATOR
PROTEIN
(Burkholderia
pseudomallei) 		4 / 5 ASP A  11
VAL A   8
PHE A  15
GLY A  17
 CIT  A 182 ( 2.5A)
None
None
None
 1.26A 4xp6A-3rqiA:
undetectable		 4xp6A-3rqiA:
17.05
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.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 SER A 251
GLU A 277
ASP A 248
 None
NAP  A1002 (-3.5A)
CIT  A1585 (-3.2A)
 0.80A 4xudA-2d1cA:
2.5		 4xudA-2d1cA:
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.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		3 / 3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.83A 4xudA-2pqfA:
undetectable		 4xudA-2pqfA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		5 / 12 ASN A 871
TYR A 870
ASN A 841
SER A 717
GLN A 919
 None
None
CIT  A1101 (-3.8A)
None
None
 1.45A 4xueA-1xf1A:
undetectable		 4xueA-1xf1A:
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		3 / 3 GLU A  74
THR A  84
HIS A  97
 CIT  A 379 (-2.9A)
None
None
 0.59A 4ydqB-3gm5A:
undetectable		 4ydqB-3gm5A:
12.27
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 12 SER A 177
GLY A 201
SER A 218
ILE A 219
LEU A 224
 CIT  A 302 ( 2.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.0A)
 0.64A 4yvgA-5faiA:
undetectable		 4yvgA-5faiA:
24.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVV_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3wcz ALDO-KETO REDUCTASE
2E
(Bombyx
mori) 		5 / 9 TYR A  58
TRP A  89
HIS A 120
ASN A 159
TYR A 206
 CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
 0.23A 4yvvA-3wczA:
42.6		 4yvvA-3wczA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 ARG A 218
LEU A 219
LEU A 260
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 (-4.0A)
None
None
None
None
CIT  A2001 ( 3.9A)
 1.13A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 LYS A 199
TRP A 214
LEU A 219
LEU A 260
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
None
None
None
CIT  A2001 ( 3.9A)
 0.64A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
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.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		5 / 9 PHE A 197
ALA A 212
VAL A 205
SER A 199
LEU A 266
 None
None
CIT  A 401 (-3.7A)
None
None
 1.29A 4z69A-5tnxA:
undetectable		 4z69A-5tnxA:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 10 ARG A 218
ARG A 222
PHE A 223
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 (-4.0A)
CIT  A2001 ( 2.9A)
None
None
None
CIT  A2001 ( 3.9A)
 1.42A 4z69I-1tf0A:
37.7		 4z69I-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 10 ARG A 218
PHE A 223
LEU A 260
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 (-4.0A)
None
None
None
None
CIT  A2001 ( 3.9A)
 1.09A 4z69I-1tf0A:
37.7		 4z69I-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 10 LYS A 199
ARG A 222
PHE A 223
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 ( 2.7A)
CIT  A2001 ( 2.9A)
None
None
None
CIT  A2001 ( 3.9A)
 0.87A 4z69I-1tf0A:
37.7		 4z69I-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 LYS A 199
TRP A 214
PHE A 223
ARG A 257
LEU A 260
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-4.1A)
None
None
None
CIT  A2001 ( 3.9A)
 0.65A 4z69I-1tf0A:
37.7		 4z69I-1tf0A:
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		4 / 5 TYR A  47
ILE A 253
PRO A 116
THR A  96
 CIT  A 347 (-4.4A)
None
None
None
 1.22A 4ze1A-3qslA:
undetectable		 4ze1A-3qslA:
21.68
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT
(Streptococcus
mutans) 		5 / 11 VAL A 412
PHE A 331
GLY A 399
GLY A 398
ILE A 432
 None
CIT  A 601 (-4.4A)
None
CIT  A 601 (-3.6A)
None
 1.32A 4zvmA-2hj0A:
2.5
4zvmB-2hj0A:
3.8		 4zvmA-2hj0A:
17.50
4zvmB-2hj0A:
17.50
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.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		4 / 5 ILE A  83
ARG A 102
TYR A  68
GLU A  11
 None
None
CIT  A 123 (-4.9A)
None
 1.15A 4zzcE-2r4iA:
undetectable		 4zzcE-2r4iA:
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.
5A06_A_SORA1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 530
ARG A 592
ASP A 550
TYR A 583
 CIT  A1623 (-3.9A)
None
EDO  A1615 ( 4.0A)
EDO  A1615 ( 4.9A)
 1.28A 5a06A-4bzxA:
2.4		 5a06A-4bzxA:
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.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 530
ARG A 592
ASP A 550
TYR A 583
 CIT  A1623 (-3.9A)
None
EDO  A1615 ( 4.0A)
EDO  A1615 ( 4.9A)
 1.29A 5a06B-4bzxA:
undetectable		 5a06B-4bzxA:
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.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 530
ARG A 592
ASP A 550
TYR A 583
 CIT  A1623 (-3.9A)
None
EDO  A1615 ( 4.0A)
EDO  A1615 ( 4.9A)
 1.29A 5a06C-4bzxA:
2.5		 5a06C-4bzxA:
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.
5A06_D_SORD1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 530
ARG A 592
ASP A 550
TYR A 583
 CIT  A1623 (-3.9A)
None
EDO  A1615 ( 4.0A)
EDO  A1615 ( 4.9A)
 1.29A 5a06D-4bzxA:
2.2		 5a06D-4bzxA:
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.
5A06_E_SORE1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 530
ARG A 592
ASP A 550
TYR A 583
 CIT  A1623 (-3.9A)
None
EDO  A1615 ( 4.0A)
EDO  A1615 ( 4.9A)
 1.28A 5a06E-4bzxA:
2.6		 5a06E-4bzxA:
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.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 530
ARG A 592
ASP A 550
TYR A 583
 CIT  A1623 (-3.9A)
None
EDO  A1615 ( 4.0A)
EDO  A1615 ( 4.9A)
 1.28A 5a06F-4bzxA:
2.4		 5a06F-4bzxA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		7 / 8 VAL A  49
HIS A  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 None
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.59A 5a5zA-5b3rA:
12.3		 5a5zA-5b3rA:
33.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		6 / 7 HIS A 157
CYH A 176
LYS A 179
GLY A 184
ASN A 185
HIS A 215
 ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-2.6A)
CIT  A2003 (-3.6A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.49A 5a5zC-5b3rA:
30.9		 5a5zC-5b3rA:
33.47
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.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.24A 5adlA-3gz7A:
undetectable
5adlB-3gz7A:
undetectable		 5adlA-3gz7A:
12.84
5adlB-3gz7A:
12.84
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		4 / 8 ASN A 230
PRO A 229
PHE A 268
SER A 270
 None
None
None
CIT  A 400 (-3.4A)
 1.37A 5amiB-3kx6A:
undetectable		 5amiB-3kx6A:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AOX_F_ACTF1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		 5vmk BIFUNCTIONAL PROTEIN
GLMU
(Acinetobacter
baumannii) 		3 / 3 TYR A 363
THR A 362
THR A 381
 CIT  A 501 (-4.7A)
None
None
 0.82A 5aoxE-5vmkA:
undetectable		 5aoxE-5vmkA:
10.80
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		5 / 11 HIS A  95
HIS A  97
ASP A  99
HIS A 157
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 3.0A)
 0.87A 5ayaA-5b3rA:
17.4		 5ayaA-5b3rA:
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.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 2i54 PHOSPHOMANNOMUTASE
(Leishmania
mexicana) 		3 / 3 ASN A 127
SER A 178
ARG A 140
 CIT  A3001 ( 4.5A)
CIT  A3001 (-3.0A)
CIT  A3001 (-3.8A)
 0.76A 5b2qA-2i54A:
undetectable		 5b2qA-2i54A:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		4 / 5 SER A 105
ARG A  14
GLY A  15
GLU A  40
 EDO  A 286 (-3.9A)
GOL  A 289 ( 2.8A)
None
CIT  A 272 (-3.6A)
 1.14A 5btiC-3ch0A:
undetectable
5btiD-3ch0A:
undetectable		 5btiC-3ch0A:
20.60
5btiD-3ch0A:
22.40
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.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1mld MALATE DEHYDROGENASE
(Sus
scrofa) 		5 / 11 HIS A 176
THR A 211
GLY A 221
ALA A 223
THR A 224
 CIT  A 375 (-3.8A)
None
None
CIT  A 375 (-3.6A)
None
 1.46A 5bxnV-1mldA:
undetectable
5bxnb-1mldA:
undetectable		 5bxnV-1mldA:
22.22
5bxnb-1mldA:
21.20
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1mld MALATE DEHYDROGENASE
(Sus
scrofa) 		5 / 11 HIS A 176
THR A 211
GLY A 221
ALA A 223
THR A 224
 CIT  A 375 (-3.8A)
None
None
CIT  A 375 (-3.6A)
None
 1.47A 5bxnH-1mldA:
undetectable
5bxnN-1mldA:
undetectable		 5bxnH-1mldA:
22.22
5bxnN-1mldA:
21.20
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.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		5 / 12 GLY A 197
GLY A  95
GLY A  96
ALA A 200
LEU A 126
 None
CIT  A 501 (-3.7A)
CIT  A 501 (-3.3A)
None
None
 0.77A 5c0oF-1m0sA:
2.9		 5c0oF-1m0sA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 12 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.90A 5cg5A-3pkoA:
25.2		 5cg5A-3pkoA:
24.32
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 12 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.90A 5cg5A-3pkoA:
25.2		 5cg5A-3pkoA:
24.32
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 12 LEU A  84
ASP A  87
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.88A 5cg6A-3pkoA:
25.6		 5cg6A-3pkoA:
24.32
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE
(Lactobacillus
brevis) 		5 / 12 LEU A  84
ASP A  91
ARG A  96
LYS A 174
THR A 175
 None
None
CIT  A 326 ( 4.8A)
None
None
 0.87A 5cg6A-3pkoA:
25.6		 5cg6A-3pkoA:
24.32
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.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES
(Caldanaerobacter
subterraneus) 		5 / 12 THR A  50
SER A  83
THR A  84
ALA A  61
THR A  42
 None
None
None
None
CIT  A 379 (-4.0A)
 1.39A 5d0xH-3gm5A:
undetectable
5d0xI-3gm5A:
undetectable		 5d0xH-3gm5A:
18.50
5d0xI-3gm5A:
20.40
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 12 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
CIT  A 401 (-3.6A)
CIT  A 401 (-3.5A)
None
 0.88A 5d4uA-2vxyA:
3.7		 5d4uA-2vxyA:
21.89
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.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 12 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
CIT  A 401 (-3.6A)
CIT  A 401 (-3.5A)
None
 0.89A 5d4uB-2vxyA:
undetectable		 5d4uB-2vxyA:
21.89
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.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 12 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
CIT  A 401 (-3.6A)
CIT  A 401 (-3.5A)
None
 0.91A 5d4uC-2vxyA:
undetectable		 5d4uC-2vxyA:
21.89
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.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 2vxy CELL DIVISION
PROTEIN FTSZ
(Bacillus
subtilis) 		5 / 12 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
CIT  A 401 (-3.6A)
CIT  A 401 (-3.5A)
None
 0.85A 5d4uD-2vxyA:
undetectable		 5d4uD-2vxyA:
21.89
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		3 / 3 THR A 421
ALA A 414
ASN A 424
 CIT  A 503 (-3.1A)
NA  A 502 ( 3.9A)
None
 0.55A 5ersA-5uldA:
undetectable		 5ersA-5uldA:
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		5 / 12 LEU A  80
VAL A  91
PRO A 101
SER A 298
GLY A  26
 None
None
None
CIT  A 400 (-4.9A)
None
 1.35A 5f9zB-3kx6A:
undetectable		 5f9zB-3kx6A:
23.89
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		5 / 12 PHE A 212
VAL A 211
PRO A 187
PHE A 268
GLY A 271
 None
None
None
None
CIT  A 400 (-3.4A)
 1.33A 5f9zB-3kx6A:
undetectable		 5f9zB-3kx6A:
23.89
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Clostridium
perfringens) 		3 / 3 THR A  34
ASP A 126
GLU A  91
 CIT  A 243 (-3.9A)
None
AMP  A 242 (-4.2A)
 0.84A 5fa8A-3nuaA:
undetectable		 5fa8A-3nuaA:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 LYS A  48
LEU A 189
CYH A 192
LEU A 220
TYR A 257
 None
CIT  A 400 (-4.3A)
CIT  A 400 (-3.3A)
None
CIT  A 400 (-4.5A)
 0.79A 5fctB-3v8hA:
34.7		 5fctB-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 LYS A  48
TRP A  80
LEU A 189
CYH A 192
TYR A 257
 None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-3.3A)
CIT  A 400 (-4.5A)
 0.77A 5fctB-3v8hA:
34.7		 5fctB-3v8hA:
34.68
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.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.23A 5fj3A-3gz7A:
undetectable
5fj3B-3gz7A:
undetectable		 5fj3A-3gz7A:
12.84
5fj3B-3gz7A:
12.84
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 4jbd PROLINE RACEMASE
(Pseudomonas
putida) 		5 / 12 ALA A 230
LEU A  50
ILE A   4
PHE A  79
HIS A  90
 None
None
None
None
CIT  A 401 (-3.7A)
 1.07A 5fsaA-4jbdA:
undetectable		 5fsaA-4jbdA:
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.27A 5ghyA-3mfdA:
22.4		 5ghyA-3mfdA:
23.70
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 ALA A  59
SER A  60
SER A 115
HIS A 156
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 1.08A 5ghyA-3mfdA:
22.4		 5ghyA-3mfdA:
23.70
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 ALA A  58
SER A  59
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.24A 5ghyA-3rjuA:
5.9		 5ghyA-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  62
SER A 123
ASN A 125
ASN A 163
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.24A 5ghyA-5eoeA:
39.0		 5ghyA-5eoeA:
36.67
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.26A 5ghyB-3mfdA:
22.4		 5ghyB-3mfdA:
23.70
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		6 / 12 ALA A  59
SER A  60
SER A 115
HIS A 156
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 1.06A 5ghyB-3mfdA:
22.4		 5ghyB-3mfdA:
23.70
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 ALA A  58
SER A  59
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.23A 5ghyB-3rjuA:
5.2		 5ghyB-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  62
SER A 123
ASN A 125
ASN A 163
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.22A 5ghyB-5eoeA:
39.3		 5ghyB-5eoeA:
36.67
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 11 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.28A 5ghzA-3mfdA:
22.4		 5ghzA-3mfdA:
23.70
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 11 ALA A  58
SER A  59
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.21A 5ghzA-3rjuA:
13.9		 5ghzA-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 11 SER A  62
TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.35A 5ghzA-5eoeA:
39.2		 5ghzA-5eoeA:
36.67
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		7 / 10 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.28A 5ghzB-3mfdA:
22.4		 5ghzB-3mfdA:
23.70
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		6 / 10 ALA A  58
SER A  59
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.21A 5ghzB-3rjuA:
14.5		 5ghzB-3rjuA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 10 SER A  62
TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.34A 5ghzB-5eoeA:
39.4		 5ghzB-5eoeA:
36.67
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 12 ALA A 145
GLY A 174
GLY A 142
GLY A  74
SER A 148
 None
None
None
CIT  A 347 (-3.2A)
CIT  A 347 (-3.6A)
 0.92A 5gwxA-3qslA:
undetectable		 5gwxA-3qslA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_A_D16A401_1
(ORF70)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.51A 5h3aA-3v8hA:
34.4		 5h3aA-3v8hA:
36.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.46A 5h3aB-3v8hA:
34.4		 5h3aB-3v8hA:
36.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 7 ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.82A 5h3aB-3v8hA:
34.4		 5h3aB-3v8hA:
36.73
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.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 9 HIS A 564
ILE A 574
TYR A 596
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
CIT  A 801 (-4.8A)
GAB  A 701 (-4.5A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.76A 5ha9B-2pqfA:
16.8		 5ha9B-2pqfA:
22.91
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 7 ILE A  65
GLY A  66
PHE A  19
ASP A  14
 None
None
None
CIT  A1249 (-2.9A)
 0.82A 5hieB-2xu2A:
undetectable		 5hieB-2xu2A:
23.93
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 8 ILE A  65
GLY A  66
PHE A  19
ASP A  14
 None
None
None
CIT  A1249 (-2.9A)
 0.82A 5hieD-2xu2A:
undetectable		 5hieD-2xu2A:
23.93
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.
5HSW_A_ACTA501_0
(ORF 37)		 1rz6 CYTOCHROME C
PEROXIDASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 5 SER A  44
SER A  45
SER A  46
SER A 116
 CIT  A 502 (-4.7A)
None
None
CIT  A 502 (-3.5A)
 0.93A 5hswA-1rz6A:
undetectable		 5hswA-1rz6A:
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 ILE A 149
ALA A 150
GLY A 224
GLY A 141
LEU A 142
 None
None
None
CIT  A 402 ( 3.7A)
None
 0.95A 5i73A-4n18A:
undetectable		 5i73A-4n18A:
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 TYR A 268
GLY A  21
GLY A 267
LEU A 209
GLY A 166
 None
CIT  A 302 (-3.7A)
None
None
None
 1.23A 5i75A-2qpqA:
undetectable		 5i75A-2qpqA:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.56A 5j7wC-3v8hA:
33.9		 5j7wC-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.57A 5j7wD-3v8hA:
33.5		 5j7wD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
TRP A  80
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.79A 5j7wD-3v8hA:
33.5		 5j7wD-3v8hA:
32.02
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.
5JGL_A_SAMA301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		5 / 12 ALA A 184
LEU A 189
ALA A 204
GLY A 206
SER A 199
 None
None
CIT  A 401 (-4.0A)
None
None
 1.28A 5jglA-5tnxA:
8.5		 5jglA-5tnxA:
23.24
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.
5K4P_A_SORA611_0
(PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		4 / 6 GLY A  11
SER A 260
GLY A  95
ASN A 142
 None
None
CIT  A 401 (-3.3A)
CIT  A 401 (-3.3A)
 0.80A 5k4pA-4rpfA:
undetectable		 5k4pA-4rpfA:
19.39
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 3lmz PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		3 / 3 HIS A  79
LYS A  76
PHE A  78
 None
CIT  A   1 (-2.9A)
None
 0.93A 5klaA-3lmzA:
undetectable		 5klaA-3lmzA:
23.92
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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 THR A  90
SER A  98
ASP A 248
 CIT  A1585 ( 3.4A)
CIT  A1585 (-2.6A)
CIT  A1585 (-3.2A)
 0.83A 5kvaA-2d1cA:
2.2		 5kvaA-2d1cA:
23.41
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.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 2d1c ISOCITRATE
DEHYDROGENASE
(Thermus
thermophilus) 		3 / 3 THR A  90
SER A  98
ASP A 248
 CIT  A1585 ( 3.4A)
CIT  A1585 (-2.6A)
CIT  A1585 (-3.2A)
 0.83A 5kvaB-2d1cA:
2.5		 5kvaB-2d1cA:
23.41
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		5 / 12 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 5l17A-1w8oA:
21.9		 5l17A-1w8oA:
21.73
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		4 / 7 SER A  94
PRO A 178
TYR A 287
PHE A 294
 CIT  A 401 (-3.6A)
None
None
None
 1.24A 5l1fC-4rpfA:
undetectable		 5l1fC-4rpfA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_K_BO2K305_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 11 THR A 150
ALA A  77
GLY A 174
ALA A 175
ASP A  70
 CIT  A 347 (-3.2A)
None
None
None
None
 0.90A 5lf3K-3qslA:
undetectable
5lf3L-3qslA:
undetectable		 5lf3K-3qslA:
20.00
5lf3L-3qslA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_Y_BO2Y305_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qsl PUTATIVE EXPORTED
PROTEIN
(Bordetella
bronchiseptica) 		5 / 11 THR A 150
ALA A  77
GLY A 174
ALA A 175
ASP A  70
 CIT  A 347 (-3.2A)
None
None
None
None
 0.90A 5lf3Y-3qslA:
undetectable
5lf3Z-3qslA:
undetectable		 5lf3Y-3qslA:
20.00
5lf3Z-3qslA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3v2i PEPTIDYL-TRNA
HYDROLASE
(Burkholderia
thailandensis) 		5 / 12 LEU A  95
PHE A 157
ARG A  19
ILE A 170
LEU A 131
 None
CIT  A 202 (-4.8A)
CIT  A 202 (-2.8A)
None
None
 1.22A 5ljcA-3v2iA:
undetectable		 5ljcA-3v2iA:
18.30
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		5 / 9 GLY A  21
VAL A  79
LEU A  28
VAL A  38
LEU A  52
 None
None
None
None
CIT  A  97 (-4.5A)
 1.04A 5lw1H-3gz7A:
undetectable		 5lw1H-3gz7A:
21.37
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.
5M35_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 4gps KLLA0E02245P
(Kluyveromyces
lactis) 		3 / 3 MET A 294
GLN A 297
ARG A 293
 None
CIT  A 501 (-3.6A)
CIT  A 501 (-3.0A)
 1.07A 5m35B-4gpsA:
undetectable		 5m35B-4gpsA:
19.90
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.
5M36_A_BEZA303_0
(14-3-3 PROTEIN
ZETA/DELTA)		 4gps KLLA0E02245P
(Kluyveromyces
lactis) 		3 / 3 MET A 294
GLN A 297
ARG A 293
 None
CIT  A 501 (-3.6A)
CIT  A 501 (-3.0A)
 1.07A 5m36A-4gpsA:
undetectable		 5m36A-4gpsA:
19.90
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY
(Yersinia
frederiksenii) 		4 / 8 SER A 208
LEU A 277
VAL A 284
SER A 283
 None
None
None
CIT  A 401 (-3.0A)
 0.98A 5m8rB-4n7wA:
undetectable		 5m8rB-4n7wA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M8R_D_MMSD509_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY
(Yersinia
frederiksenii) 		4 / 8 SER A 208
LEU A 277
VAL A 284
SER A 283
 None
None
None
CIT  A 401 (-3.0A)
 0.94A 5m8rD-4n7wA:
undetectable		 5m8rD-4n7wA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 HIS A 376
ASP A 233
ASP A 187
HIS A 323
 CIT  A 509 (-4.4A)
MN  A 508 ( 3.2A)
MN  A 508 ( 3.2A)
CIT  A 509 (-3.8A)
 0.93A 5ncdB-4j6oA:
undetectable
5ncdC-4j6oA:
undetectable		 5ncdB-4j6oA:
22.39
5ncdC-4j6oA:
22.39
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 4 ASP A  14
HIS A  68
HIS A 117
HIS A 232
 CIT  A1249 (-2.9A)
CIT  A1249 (-4.4A)
CIT  A1249 (-3.9A)
CIT  A1249 (-3.7A)
 1.24A 5ncdD-2xu2A:
11.1		 5ncdD-2xu2A:
18.01
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		4 / 6 HIS A 158
ASP A 101
HIS A  70
HIS A  68
 ZN  A 288 ( 3.2A)
None
ACT  A 290 ( 4.5A)
CIT  A 289 (-4.0A)
 0.95A 5nelB-3rcmA:
3.3
5nelC-3rcmA:
4.1		 5nelB-3rcmA:
19.40
5nelC-3rcmA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NJV_D_SAMD301_0
(NS5)		 5nvj -
(-) 		5 / 12 GLY A  39
GLY A  43
TRP A  41
GLU A  21
ILE A  30
 None
None
None
CIT  A 103 (-4.0A)
None
 1.02A 5njvD-5nvjA:
undetectable		 5njvD-5nvjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 1f8r L-AMINO ACID OXIDASE
(Calloselasma
rhodostoma) 		5 / 12 GLY A 373
ARG A 322
PHE A 354
THR A 347
TYR A 121
 None
CIT  A 526 (-3.3A)
None
None
None
 1.46A 5nknA-1f8rA:
0.7		 5nknA-1f8rA:
9.17
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.
5NNW_D_GCSD302_1
(25 KDA PROTEIN
ELICITOR)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 7 GLY A 167
HIS A 168
ASP A 105
HIS A  77
 None
CIT  A 265 (-3.8A)
CIT  A 265 (-4.2A)
CIT  A 265 (-3.4A)
 1.00A 5nnwD-3tb5A:
undetectable		 5nnwD-3tb5A:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		 3tb5 METHIONINE
AMINOPEPTIDASE
(Enterococcus
faecalis) 		4 / 7 GLY A 167
HIS A 168
ASP A 105
HIS A  77
 None
CIT  A 265 (-3.8A)
CIT  A 265 (-4.2A)
CIT  A 265 (-3.4A)
 1.03A 5no9D-3tb5A:
undetectable		 5no9D-3tb5A:
16.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 7 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 5nooA-3v8hA:
33.8		 5nooA-3v8hA:
31.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 7 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.85A 5nooB-3v8hA:
33.4		 5nooB-3v8hA:
31.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 6 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.84A 5nooC-3v8hA:
33.4		 5nooC-3v8hA:
31.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 ILE A 134
ILE A 170
VAL A 217
ALA A 559
GLN A 558
 None
None
None
None
CIT  A 670 ( 4.9A)
 1.20A 5nukA-3u1kA:
undetectable		 5nukA-3u1kA:
8.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZX_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		4 / 8 ASN A 118
PHE A 142
THR A 180
GLY A 177
 None
None
None
CIT  A 401 ( 4.8A)
 0.97A 5nzxA-5tnxA:
2.5		 5nzxA-5tnxA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZY_A_CE3A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN
(Burkholderia
ambifaria) 		4 / 7 ASN A 118
PHE A 142
THR A 180
GLY A 177
 None
None
None
CIT  A 401 ( 4.8A)
 0.98A 5nzyA-5tnxA:
2.2		 5nzyA-5tnxA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 1htq GLUTAMINE SYNTHETASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 322
GLY A 265
GLU A 131
GLY A 267
ARG A 359
 None
CIT  A7476 (-3.2A)
CIT  A7476 (-2.7A)
CIT  A7476 (-3.8A)
MN  A 470 (-3.4A)
 1.20A 5o4yD-1htqA:
undetectable
5o4yE-1htqA:
0.0		 5o4yD-1htqA:
20.00
5o4yE-1htqA:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 5xns CHROMOSOME PARTITION
PROTEIN SMC
(Pyrococcus
furiosus) 		5 / 10 MET A1133
ALA A1101
LEU A1103
ILE A1054
LEU A1039
 None
CIT  A1201 (-4.2A)
None
None
None
 1.08A 5oy01-5xnsA:
4.1
5oy07-5xnsA:
undetectable		 5oy01-5xnsA:
10.23
5oy07-5xnsA:
7.36
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.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 GLU A 173
ASP A 169
ILE A 152
ILE A 131
 SO4  A 502 (-2.5A)
CIT  A 513 ( 4.9A)
None
None
 0.94A 5t8sA-4nxkA:
undetectable		 5t8sA-4nxkA:
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.
5TIY_A_OAQA302_0
(SULFOTRANSFERASE)		 1dmg RIBOSOMAL PROTEIN L4
(Thermotoga
maritima) 		5 / 11 PRO A 185
ILE A 180
MET A 217
LEU A 213
THR A 214
 CIT  A 510 (-3.5A)
None
None
None
None
 1.20A 5tiyA-1dmgA:
0.0		 5tiyA-1dmgA:
18.29
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		4 / 7 LEU A 529
ARG A 537
VAL A 725
TYR A 703
 None
CIT  A2000 (-4.1A)
None
None
 1.14A 5umwA-3bdlA:
undetectable
5umwF-3bdlA:
undetectable		 5umwA-3bdlA:
9.89
5umwF-3bdlA:
9.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 ARG A 257
LEU A 260
ILE A 290
ALA A 291
GLU A 292
 DKA  A1003 (-4.1A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
None
 1.08A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 HIS A 242
LEU A 260
ILE A 290
ALA A 291
GLU A 292
 DKA  A1003 (-3.7A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
None
 0.96A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 12 LEU A 219
LEU A 238
ARG A 257
LEU A 260
ILE A 290
ALA A 291
 None
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.57A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 12 LEU A 219
LEU A 238
HIS A 242
LEU A 260
ILE A 290
ALA A 291
 None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.60A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 LYS A 195
LEU A 219
LEU A 238
ARG A 257
LEU A 260
 CIT  A2001 (-4.1A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
None
 0.90A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 LYS A 195
LEU A 219
LEU A 238
HIS A 242
LEU A 260
 CIT  A2001 (-4.1A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.03A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 LYS A 199
LEU A 219
LEU A 238
HIS A 242
LEU A 260
 CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.10A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		 2czq CUTINASE-LIKE
PROTEIN
(Cryptococcus
sp.
S-2) 		4 / 6 ARG A  65
ARG A  66
ILE A  43
THR A  42
 None
CIT  A 501 (-3.7A)
None
CIT  A 501 (-3.3A)
 1.11A 5vceA-2czqA:
undetectable		 5vceA-2czqA:
16.12
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		4 / 8 GLY A 197
ARG A 158
ASP A 171
ASP A  84
 None
None
None
CIT  A 501 (-2.8A)
 0.98A 5vlmB-1m0sA:
0.0		 5vlmB-1m0sA:
23.08
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.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 1vbj PROSTAGLANDIN F
SYNTHASE
(Trypanosoma
brucei) 		4 / 7 GLN A  83
GLY A 113
GLN A 170
TRP A 111
 None
None
None
CIT  A4001 (-4.4A)
 1.07A 5vlmC-1vbjA:
undetectable		 5vlmC-1vbjA:
20.36
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.
5VLM_F_CVIF301_1
(REGULATORY PROTEIN
TETR)		 1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A
(Haemophilus
influenzae) 		4 / 8 ILE A 169
ARG A 158
VAL A 172
ASP A  84
 None
None
None
CIT  A 501 (-2.8A)
 0.97A 5vlmF-1m0sA:
0.4		 5vlmF-1m0sA:
23.08
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.
5VLM_G_CVIG301_1
(REGULATORY PROTEIN
TETR)		 5fyj GP41 ENV ECTODOMAIN
(Human
immunodeficiency
virus
1) 		4 / 7 GLY B 594
TRP B 596
ASP B 589
TYR B 586
 None
None
CIT  B1666 (-3.2A)
None
 1.23A 5vlmG-5fyjB:
undetectable		 5vlmG-5fyjB:
23.40
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.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.21A 5vv7A-3gz7A:
undetectable
5vv7B-3gz7A:
undetectable		 5vv7A-3gz7A:
12.84
5vv7B-3gz7A:
12.84
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.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.27A 5vvnA-3gz7A:
undetectable
5vvnB-3gz7A:
undetectable		 5vvnA-3gz7A:
12.84
5vvnB-3gz7A:
12.84
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 5 LEU A 147
TYR A 113
LYS A 115
GLU A 172
 None
None
CIT  A1249 (-2.7A)
None
 0.84A 5weaA-2xu2A:
2.2		 5weaA-2xu2A:
14.35
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.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		4 / 6 LEU A 540
ARG A 515
MET A 518
LEU A 594
 None
CIT  A2001 (-3.0A)
None
None
 1.06A 5x1fA-5t8vA:
undetectable
5x1fJ-5t8vA:
undetectable		 5x1fA-5t8vA:
15.48
5x1fJ-5t8vA:
3.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 GLU A  58
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 5x5qB-3v8hA:
34.6		 5x5qB-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 7 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.76A 5x5qC-3v8hA:
34.7		 5x5qC-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 8 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.77A 5x5qD-3v8hA:
34.9		 5x5qD-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		4 / 6 ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.73A 5x5qE-3v8hA:
34.7		 5x5qE-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 8 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.75A 5x5qF-3v8hA:
34.9		 5x5qF-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ASP A 217
LEU A 220
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.62A 5x66A-3v8hA:
34.6
5x66B-3v8hA:
20.2		 5x66A-3v8hA:
35.87
5x66B-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 9 ASP A 217
LEU A 220
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.62A 5x66C-3v8hA:
34.6		 5x66C-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 ASP A 217
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.65A 5x66D-3v8hA:
34.7		 5x66D-3v8hA:
35.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 LYS A  48
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.68A 5x66F-3v8hA:
34.7		 5x66F-3v8hA:
35.87
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.
5X7F_A_SAMA301_1
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 2xu2 UPF0271 PROTEIN
PA4511
(Pseudomonas
aeruginosa) 		4 / 4 SER A  30
ASP A 234
HIS A 232
ASP A  27
 None
None
CIT  A1249 (-3.7A)
None
 1.28A 5x7fA-2xu2A:
0.5		 5x7fA-2xu2A:
29.15
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.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN
(Escherichia
coli) 		4 / 5 HIS C  31
ASP C 234
GLY C 207
ASN C  26
 CIT  C 501 (-3.9A)
None
None
CIT  C 501 (-3.3A)
 1.18A 5x7pB-4gypC:
undetectable		 5x7pB-4gypC:
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.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		5 / 12 LEU A 183
PHE A 415
GLU A 374
THR A 200
SER A 146
 None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
 1.00A 5xiqA-5uldA:
undetectable		 5xiqA-5uldA:
21.22
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.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		5 / 12 LEU A 236
PHE A 415
VAL A 441
THR A 200
SER A 146
 None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
 1.47A 5xiqB-5uldA:
undetectable		 5xiqB-5uldA:
21.22
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		 4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE
(Thermotoga
maritima) 		5 / 12 HIS A 114
VAL A 497
LEU A 376
LEU A 506
ALA A 502
 CIT  A1589 (-4.0A)
None
None
None
CIT  A1589 (-3.5A)
 1.18A 5xprA-4conA:
1.8		 5xprA-4conA:
21.73
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.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT
(Streptococcus
mutans) 		3 / 3 SER A 124
HIS A  71
TYR A 192
 CIT  A 601 (-2.8A)
CIT  A 601 (-3.8A)
None
 0.95A 5y2tA-2hj0A:
undetectable		 5y2tA-2hj0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 6 LEU A 162
LYS A  65
LEU A  68
LEU A 132
 None
CIT  A 303 (-3.6A)
None
None
 1.10A 5yvnA-5eoeA:
undetectable		 5yvnA-5eoeA:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 5b3r IMP-18
(Pseudomonas
aeruginosa) 		6 / 8 HIS A  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.37A 5zj8A-5b3rA:
15.2		 5zj8A-5b3rA:
32.51
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.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE
(Escherichia
coli) 		4 / 6 SER A 238
GLU A 253
ARG A 251
ARG A 320
 None
None
CIT  A 432 (-3.6A)
None
 1.22A 5zw4A-3bzmA:
undetectable		 5zw4A-3bzmA:
17.93
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.
6A93_B_8NUB3001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 3nat UNCHARACTERIZED
PROTEIN
(Enterococcus
faecalis) 		4 / 5 ASP A 102
ILE A  88
PHE A  71
TYR A   9
 None
CIT  A 162 (-3.8A)
None
None
 1.09A 6a93B-3natA:
undetectable		 6a93B-3natA:
19.83
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.
6A94_B_ZOTB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		5 / 12 VAL A 311
GLY A 224
PHE A 234
PHE A 319
VAL A 318
 None
CIT  A1000 (-4.2A)
None
None
None
 1.04A 6a94B-1aj8A:
1.4		 6a94B-1aj8A:
26.84
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		4 / 6 GLY A 216
GLY A 220
PRO A 221
GLY A 224
 None
None
None
CIT  A1000 (-4.2A)
 0.76A 6ag0C-1aj8A:
undetectable		 6ag0C-1aj8A:
12.37
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.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 SER A   7
VAL A  89
ARG A  76
PHE A  83
 None
None
CIT  A  97 (-3.8A)
CIT  A  97 (-4.7A)
 1.20A 6av6A-3gz7A:
undetectable
6av6B-3gz7A:
undetectable		 6av6A-3gz7A:
21.30
6av6B-3gz7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV6_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.11A 6av6C-3gz7A:
undetectable
6av6D-3gz7A:
undetectable		 6av6C-3gz7A:
21.30
6av6D-3gz7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Bordetella
bronchiseptica) 		4 / 7 SER A   7
VAL A  89
ARG A  76
PHE A  83
 None
None
CIT  A  97 (-3.8A)
CIT  A  97 (-4.7A)
 1.24A 6av7A-3gz7A:
undetectable
6av7B-3gz7A:
undetectable		 6av7A-3gz7A:
21.30
6av7B-3gz7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.42A 6b5yB-5eoeA:
39.4		 6b5yB-5eoeA:
16.08
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.42A 6b5yD-3mfdA:
22.2		 6b5yD-3mfdA:
13.00
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.45A 6b5yD-5eoeA:
39.4		 6b5yD-5eoeA:
16.08
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.26A 6b68B-3mfdA:
22.2		 6b68B-3mfdA:
13.00
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.31A 6b68B-5eoeA:
39.5		 6b68B-5eoeA:
16.08
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.38A 6b68D-5eoeA:
39.4		 6b68D-5eoeA:
16.08
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.28A 6b69A-3mfdA:
22.1
6b69B-3mfdA:
22.2		 6b69A-3mfdA:
13.00
6b69B-3mfdA:
13.00
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  62
SER A 123
PRO A 160
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.31A 6b69A-5eoeA:
39.4
6b69B-5eoeA:
39.4		 6b69A-5eoeA:
16.08
6b69B-5eoeA:
16.08
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.32A 6b69D-5eoeA:
39.3		 6b69D-5eoeA:
16.08
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.35A 6b6aB-5eoeA:
39.3		 6b6aB-5eoeA:
16.08
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.27A 6b6aD-3mfdA:
22.3		 6b6aD-3mfdA:
13.00
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 SER A  59
LYS A 299
THR A 300
GLY A 301
GLY A 303
 CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
None
 0.40A 6b6aD-3rjuA:
14.5		 6b6aD-3rjuA:
14.04
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  62
SER A 123
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.32A 6b6aD-5eoeA:
39.0		 6b6aD-5eoeA:
16.08
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.33A 6b6cA-3mfdA:
22.4		 6b6cA-3mfdA:
13.00
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
PRO A 160
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.40A 6b6cA-5eoeA:
39.1		 6b6cA-5eoeA:
16.08
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.57A 6b6dA-5eoeA:
39.0		 6b6dA-5eoeA:
16.08
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  62
SER A 123
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.34A 6b6eA-5eoeA:
39.1		 6b6eA-5eoeA:
16.08
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB
(Bacillus
subtilis) 		5 / 12 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.42A 6b6fA-3mfdA:
22.4		 6b6fA-3mfdA:
13.00
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE
(Yersinia
pestis) 		5 / 12 SER A  59
LYS A 299
THR A 300
GLY A 301
GLY A 303
 CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
None
 0.49A 6b6fA-3rjuA:
14.8		 6b6fA-3rjuA:
14.04
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 CSS A  61
SER A  62
SER A 123
PRO A 160
ASN A 163
LYS A 227
THR A 228
GLY A 229
 None
CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.52A 6b6fA-5eoeA:
38.8		 6b6fA-5eoeA:
16.08
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE
(Babesia
bovis) 		5 / 12 VAL A 232
ARG A 301
ILE A  74
LEU A  28
GLY A  26
 None
CIT  A 400 (-3.5A)
None
None
None
 1.08A 6c2mA-3kx6A:
undetectable		 6c2mA-3kx6A:
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 5eoe BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 TYR A  97
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.52A 6c79A-5eoeA:
40.8		 6c79A-5eoeA:
17.50
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 3lmz PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 5 THR A  52
HIS A 215
ASP A 189
HIS A 158
 None
None
None
CIT  A   1 (-3.7A)
 1.38A 6dchA-3lmzA:
undetectable		 6dchA-3lmzA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		5 / 10 SER A 154
ASP A 159
ILE A 126
SER A 105
GLY A 103
 None
None
None
CIT  A 301 (-3.1A)
None
 1.14A 6dlzA-4h0cA:
3.4
6dlzD-4h0cA:
3.2		 6dlzA-4h0cA:
19.63
6dlzD-4h0cA:
19.63
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		5 / 10 ILE A 126
SER A 105
GLY A 103
SER A 154
ASP A 159
 None
CIT  A 301 (-3.1A)
None
None
None
 1.14A 6dlzB-4h0cA:
3.1
6dlzC-4h0cA:
3.2		 6dlzB-4h0cA:
19.63
6dlzC-4h0cA:
19.63
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		5 / 10 SER A 154
ASP A 159
ILE A 126
SER A 105
GLY A 103
 None
None
None
CIT  A 301 (-3.1A)
None
 1.15A 6dm1A-4h0cA:
2.9
6dm1D-4h0cA:
3.2		 6dm1A-4h0cA:
19.63
6dm1D-4h0cA:
19.63
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		5 / 10 ILE A 126
SER A 105
GLY A 103
SER A 154
ASP A 159
 None
CIT  A 301 (-3.1A)
None
None
None
 1.15A 6dm1B-4h0cA:
2.9
6dm1C-4h0cA:
3.2		 6dm1B-4h0cA:
19.63
6dm1C-4h0cA:
19.63
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.
6DM2_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 1vkf GLYCEROL UPTAKE
OPERON
ANTITERMINATOR-RELAT
ED PROTEIN
(Thermotoga
maritima) 		5 / 10 LEU A  40
LEU A  26
ILE A  18
PRO A  20
SER A 165
 None
CIT  A 501 (-4.9A)
None
None
CIT  A 501 (-2.6A)
 1.49A 6dm2B-1vkfA:
2.7
6dm2C-1vkfA:
2.3		 6dm2B-1vkfA:
17.11
6dm2C-1vkfA:
17.11
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.
6DM2_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 1vkf GLYCEROL UPTAKE
OPERON
ANTITERMINATOR-RELAT
ED PROTEIN
(Thermotoga
maritima) 		5 / 10 ILE A  18
PRO A  20
SER A 165
LEU A  40
LEU A  26
 None
None
CIT  A 501 (-2.6A)
None
CIT  A 501 (-4.9A)
 1.49A 6dm2A-1vkfA:
2.3
6dm2D-1vkfA:
undetectable		 6dm2A-1vkfA:
17.11
6dm2D-1vkfA:
17.11
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.
6DWD_C_GLYC713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		3 / 3 GLN A 260
TYR A 257
ASN A 259
 None
CIT  A 400 (-4.5A)
None
 1.01A 6dwdC-3v8hA:
undetectable		 6dwdC-3v8hA:
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		 4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2
(Streptococcus
pneumoniae) 		4 / 7 SER A 193
PHE A 165
GLY A  47
VAL A  83
 None
None
CIT  A 302 (-3.2A)
None
 0.83A 6dwnB-4h1xA:
undetectable		 6dwnB-4h1xA:
14.62
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ARG A  87
ARG A 276
ASP A 259
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
CIT  A1649 (-3.0A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-2.8A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.79A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ARG A  87
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
CIT  A1649 (-3.0A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ASP A 131
ARG A 276
ASP A 259
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-2.8A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 1.01A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		7 / 12 ARG A  68
ILE A  69
ASP A 131
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
GOL  A1650 (-2.7A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.68A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3r7t ADENYLOSUCCINATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 10 GLY A   9
GLY A 221
GLU A  15
ASP A  14
ILE A   7
 None
None
None
CIT  A 421 ( 4.1A)
None
 0.97A 6exiA-3r7tA:
undetectable		 6exiA-3r7tA:
12.71
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.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3r7t ADENYLOSUCCINATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 10 GLY A   9
GLY A 221
GLU A  15
ASP A  14
ILE A   7
 None
None
None
CIT  A 421 ( 4.1A)
None
 0.95A 6exiB-3r7tA:
undetectable		 6exiB-3r7tA:
12.71
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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3r7t ADENYLOSUCCINATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 12 GLY A   9
GLY A 221
GLU A  15
ASP A  14
ILE A   7
 None
None
None
CIT  A 421 ( 4.1A)
None
 0.95A 6exiC-3r7tA:
undetectable
6exiD-3r7tA:
undetectable		 6exiC-3r7tA:
12.71
6exiD-3r7tA:
12.71
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.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3r7t ADENYLOSUCCINATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 12 GLY A   9
GLY A 221
GLU A  15
ASP A  14
ILE A   7
 None
None
None
CIT  A 421 ( 4.1A)
None
 0.97A 6exiC-3r7tA:
undetectable
6exiD-3r7tA:
undetectable		 6exiC-3r7tA:
12.71
6exiD-3r7tA:
12.71
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 4 LEU A  26
ASP A 259
PRO A 260
ARG A 261
 None
None
None
CIT  A1366 (-3.3A)
 1.13A 6fgdA-2c6xA:
undetectable		 6fgdA-2c6xA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FN9_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 4gps KLLA0E02245P
(Kluyveromyces
lactis) 		3 / 3 MET A 294
GLN A 297
ARG A 293
 None
CIT  A 501 (-3.6A)
CIT  A 501 (-3.0A)
 1.05A 6fn9A-4gpsA:
undetectable		 6fn9A-4gpsA:
18.90
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.
6FNA_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 4gps KLLA0E02245P
(Kluyveromyces
lactis) 		3 / 3 MET A 294
GLN A 297
ARG A 293
 None
CIT  A 501 (-3.6A)
CIT  A 501 (-3.0A)
 1.04A 6fnaB-4gpsA:
undetectable		 6fnaB-4gpsA:
18.90
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.
6FNB_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 4gps KLLA0E02245P
(Kluyveromyces
lactis) 		3 / 3 MET A 294
GLN A 297
ARG A 293
 None
CIT  A 501 (-3.6A)
CIT  A 501 (-3.0A)
 1.07A 6fnbA-4gpsA:
undetectable		 6fnbA-4gpsA:
18.90
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4u36 SEED LECTIN
(Vatairea
macrocarpa) 		3 / 3 ARG A 136
LYS A 152
TYR A 187
 CIT  A 308 (-4.0A)
None
None
 1.28A 6gnaA-4u36A:
undetectable		 6gnaA-4u36A:
18.73
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4u36 SEED LECTIN
(Vatairea
macrocarpa) 		3 / 3 ARG A 136
LYS A 152
TYR A 187
 CIT  A 308 (-4.0A)
None
None
 1.28A 6gnbA-4u36A:
undetectable		 6gnbA-4u36A:
18.73
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.
6GNF_A_QPSA602_2
(-)		 4rpf HOMOSERINE KINASE
(Yersinia
pestis) 		5 / 9 GLY A 263
GLY A  95
TYR A 287
VAL A  24
GLU A 232
 None
CIT  A 401 (-3.3A)
None
None
None
 1.45A 6gnfA-4rpfA:
undetectable		 6gnfA-4rpfA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HLO_A_GBQA1501_1
(SUBSTANCE-P
RECEPTOR,GLGA
GLYCOGEN
SYNTHASE,SUBSTANCE-P
RECEPTOR)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		5 / 9 ASN A 191
ILE A 211
ILE A 215
VAL A 128
ILE A 102
 CIT  A1000 (-3.3A)
None
None
None
None
 1.26A 6hloA-1aj8A:
undetectable		 6hloA-1aj8A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_Q_PCFQ202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1w8o BACTERIAL SIALIDASE
(Micromonospora
viridifaciens) 		4 / 6 TYR A 370
ILE A  69
ALA A 205
ASP A 307
 CIT  A1649 (-4.5A)
None
None
None
 1.14A 6hu9m-1w8oA:
undetectable
6hu9q-1w8oA:
undetectable		 6hu9m-1w8oA:
22.99
6hu9q-1w8oA:
12.59
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 1rz6 CYTOCHROME C
PEROXIDASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 GLY A 231
PHE A 233
VAL A 235
SER A 267
 None
None
None
CIT  A 503 (-2.6A)
 0.99A 6hu9S-1rz6A:
undetectable
6hu9q-1rz6A:
0.0		 6hu9S-1rz6A:
14.85
6hu9q-1rz6A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		4 / 5 HIS A 186
ARG A 278
PHE A 341
ARG A 345
 CIT  A 379 (-3.8A)
CIT  A 379 (-3.0A)
CIT  A 379 (-4.8A)
CIT  A 379 (-2.8A)
 0.63A 6hxiB-1a59A:
14.8		 6hxiB-1a59A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		4 / 5 HIS A 188
ARG A 271
PHE A 333
ARG A 337
 CIT  A1000 (-3.8A)
CIT  A1000 (-2.9A)
None
CIT  A1000 (-2.9A)
 0.77A 6hxiB-1aj8A:
14.7		 6hxiB-1aj8A:
22.40
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 5 HIS A 178
ARG A 261
PHE A 328
ARG A 332
 CIT  A1366 (-3.0A)
CIT  A1366 (-3.3A)
None
CIT  A1366 (-3.0A)
 0.99A 6hxiB-2c6xA:
13.1		 6hxiB-2c6xA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		5 / 5 HIS A 186
ARG A 278
ASP A 320
PHE A 341
ARG A 345
 CIT  A 379 (-3.8A)
CIT  A 379 (-3.0A)
CIT  A 379 (-2.8A)
CIT  A 379 (-4.8A)
CIT  A 379 (-2.8A)
 0.70A 6hxiD-1a59A:
16.5		 6hxiD-1a59A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		5 / 5 HIS A 188
ARG A 271
ASP A 312
PHE A 333
ARG A 337
 CIT  A1000 (-3.8A)
CIT  A1000 (-2.9A)
CIT  A1000 ( 4.1A)
None
CIT  A1000 (-2.9A)
 0.79A 6hxiD-1aj8A:
16.4		 6hxiD-1aj8A:
22.40
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2c6x CITRATE SYNTHASE 1
(Bacillus
subtilis) 		4 / 5 HIS A 178
ARG A 261
PHE A 328
ARG A 332
 CIT  A1366 (-3.0A)
CIT  A1366 (-3.3A)
None
CIT  A1366 (-3.0A)
 0.98A 6hxiD-2c6xA:
14.9		 6hxiD-2c6xA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1k4m NAMN
ADENYLYLTRANSFERASE
(Escherichia
coli) 		4 / 5 GLY A  10
THR A  11
HIS A  19
SER A 180
 NAD  A 601 (-3.4A)
NAD  A 601 (-4.7A)
NAD  A 601 (-4.5A)
CIT  A 604 (-3.5A)
 0.66A 6jmjA-1k4mA:
15.0		 6jmjA-1k4mA:
25.57
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1yul PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 5 GLY A  10
THR A  11
HIS A  19
SER A 178
 None
None
CIT  A 230 (-3.8A)
CIT  A 230 (-3.3A)
 0.51A 6jmjA-1yulA:
14.4		 6jmjA-1yulA:
23.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 5h16 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Acinetobacter
baumannii) 		5 / 5 GLY A  10
THR A  11
HIS A  19
SER A 129
SER A 130
 CIT  A 201 (-3.2A)
CIT  A 201 (-3.6A)
CIT  A 201 (-3.8A)
CIT  A 201 (-3.5A)
CIT  A 201 (-2.6A)
 0.19A 6jmjA-5h16A:
29.8		 6jmjA-5h16A:
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.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1k4m NAMN
ADENYLYLTRANSFERASE
(Escherichia
coli) 		4 / 7 GLY A  10
PHE A  12
HIS A  19
SER A 180
 NAD  A 601 (-3.4A)
NAD  A 601 (-4.5A)
NAD  A 601 (-4.5A)
CIT  A 604 (-3.5A)
 0.56A 6jnhA-1k4mA:
15.0		 6jnhA-1k4mA:
25.57
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.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1yul PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 7 GLY A  10
THR A  11
PHE A  12
HIS A  19
SER A 178
 None
None
None
CIT  A 230 (-3.8A)
CIT  A 230 (-3.3A)
 0.54A 6jnhA-1yulA:
14.4		 6jnhA-1yulA:
23.89
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.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2i54 PHOSPHOMANNOMUTASE
(Leishmania
mexicana) 		4 / 7 GLY A 116
THR A 117
PHE A 118
SER A 178
 None
None
None
CIT  A3001 (-3.0A)
 0.67A 6jnhA-2i54A:
3.8		 6jnhA-2i54A:
25.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 5h16 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Acinetobacter
baumannii) 		6 / 7 GLY A  10
THR A  11
PHE A  12
HIS A  19
SER A 129
SER A 130
 CIT  A 201 (-3.2A)
CIT  A 201 (-3.6A)
CIT  A 201 (-4.0A)
CIT  A 201 (-3.8A)
CIT  A 201 (-3.5A)
CIT  A 201 (-2.6A)
 0.17A 6jnhA-5h16A:
30.2		 6jnhA-5h16A:
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.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1yul PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 6 GLY A  10
THR A  11
HIS A  19
SER A 178
 None
None
CIT  A 230 (-3.8A)
CIT  A 230 (-3.3A)
 0.54A 6jogA-1yulA:
14.4		 6jogA-1yulA:
23.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 5h16 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Acinetobacter
baumannii) 		5 / 6 GLY A  10
THR A  11
HIS A  19
SER A 129
SER A 130
 CIT  A 201 (-3.2A)
CIT  A 201 (-3.6A)
CIT  A 201 (-3.8A)
CIT  A 201 (-3.5A)
CIT  A 201 (-2.6A)
 0.21A 6jogA-5h16A:
29.8		 6jogA-5h16A:
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE
(Dyadobacter
fermentans) 		4 / 8 GLY A 130
LEU A 110
GLY A 107
GLU A 113
 CIT  A 301 (-3.4A)
None
None
None
 0.81A 6mdqA-4h0cA:
undetectable		 6mdqA-4h0cA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4cnm TROPHOBLAST
GLYCOPROTEIN
(Homo
sapiens) 		4 / 7 HIS A 151
GLU A 216
ASP A 240
GLU A 266
 PEG  A1351 ( 4.2A)
CIT  A1356 (-3.8A)
None
None
 1.12A 6mn4F-4cnmA:
undetectable		 6mn4F-4cnmA:
24.60
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.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 5uld TRANSPORTER, NADC
FAMILY
(Vibrio
cholerae) 		5 / 12 LEU A 183
PHE A 415
GLU A 374
THR A 200
SER A 146
 None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
 1.00A 6mn8A-5uldA:
undetectable		 6mn8A-5uldA:
19.58
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 2x7i MEVALONATE KINASE
(Staphylococcus
aureus) 		5 / 9 ILE A 208
ALA A 268
GLY A 269
LEU A 265
GLY A  98
 None
None
None
None
CIT  A1307 (-3.3A)
 1.02A 6nm4B-2x7iA:
undetectable		 6nm4B-2x7iA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.00A 6qxsB-3v8hA:
32.9		 6qxsB-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 TRP A  80
LEU A 189
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.80A 6qxsB-3v8hA:
32.9		 6qxsB-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 LEU A 189
HIS A 193
LEU A 220
GLY A 221
TYR A 257
 CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.55A 6qyaB-3v8hA:
32.6		 6qyaB-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 HIS A 193
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.51A 6qyaD-3v8hA:
32.6		 6qyaD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 LEU A 189
HIS A 193
LEU A 220
GLY A 221
ASN A 225
 CIT  A 400 (-4.3A)
None
None
None
None
 0.30A 6qyaD-3v8hA:
32.6		 6qyaD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
LEU A 189
HIS A 193
LEU A 220
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.57A 6qyaD-3v8hA:
32.6		 6qyaD-3v8hA:
32.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 TRP A  80
ASN A  83
LEU A 189
GLY A 221
PHE A 224
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
None
 1.02A 6r2eA-3v8hA:
34.7		 6r2eA-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.05A 6r2eA-3v8hA:
34.7		 6r2eA-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 ASN A  83
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.83A 6r2eB-3v8hA:
34.8		 6r2eB-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 ASN A  83
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.75A 6r2eD-3v8hA:
34.9		 6r2eD-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 10 TRP A  80
ASN A  83
LEU A 189
LEU A 220
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.81A 6r2eD-3v8hA:
34.9		 6r2eD-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ASN A  83
LEU A 189
GLY A 221
PHE A 224
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 1.01A 6r2eE-3v8hA:
34.7		 6r2eE-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		6 / 12 ASN A  83
TYR A 106
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
None
 0.76A 6r2eE-3v8hA:
34.7		 6r2eE-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
ASN A  83
LEU A 189
PHE A 224
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.84A 6r2eE-3v8hA:
34.7		 6r2eE-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
ASN A  83
TYR A 106
LEU A 189
ASN A 225
 None
None
None
CIT  A 400 (-4.3A)
None
 0.52A 6r2eE-3v8hA:
34.7		 6r2eE-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 ASN A  83
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.73A 6r2eF-3v8hA:
34.8		 6r2eF-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 ASN A  83
LEU A 189
GLY A 221
PHE A 224
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 1.05A 6r2eG-3v8hA:
34.8		 6r2eG-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 ASN A  83
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.79A 6r2eG-3v8hA:
34.8		 6r2eG-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 11 TRP A  80
ASN A  83
LEU A 189
PHE A 224
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.87A 6r2eG-3v8hA:
34.8		 6r2eG-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 ASN A  83
TYR A 106
LEU A 189
GLY A 221
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.85A 6r2eH-3v8hA:
34.8		 6r2eH-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TRP A  80
ASN A  83
TYR A 106
LEU A 189
ASN A 225
 None
None
None
CIT  A 400 (-4.3A)
None
 0.73A 6r2eH-3v8hA:
34.8		 6r2eH-3v8hA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3v8h THYMIDYLATE SYNTHASE
(Burkholderia
thailandensis) 		5 / 12 TYR A 106
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.90A 6r2eH-3v8hA:
34.8		 6r2eH-3v8hA:
33.43