PDB ID: 1wof


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '1wof'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
4CX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.36A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_ACTB1873_0
(FPRA)		Acetic acid3 / 3
ASP B 153
ASP B 155
LYS B 102
1.78A19.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B  -1
ASN A 142
ALA B 211
ALA B 210
THR B 257
1.36A22.94
None
I12  A1145 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3V_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ML5_A_AZMA264_1
(CARBONIC ANHYDRASE 7)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.62A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 11
ILE A 249
LEU A 202
THR A 201
LEU A 250
TYR A 209
1.47A21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.95A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
ALA A 211
GLY A 215
GLY A   2
SER A   0
TRP A 207
1.32A20.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_A_THAA1_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 11
LEU A 177
PHE A 103
GLY A  29
VAL A  68
LEU A  86
1.28A20.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 6
THR B  26
LEU B  89
GLN B  83
LEU B  86
1.31A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J24_D_ESTD600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 264
LEU A 253
ILE A 281
LEU A 282
LEU A 220
1.48A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.45A23.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 11
ILE B 136
ILE B 106
PHE B   8
THR B 292
ILE B 200
1.25A23.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		Ticagrelor4 / 8
SER A 301
GLY A 302
ALA A   7
GLY B 124
1.05A20.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NM5_B_LOCB502_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A 208
LEU A 253
ALA A 206
LEU A 205
ILE A 259
1.37A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_D_ACTD202_0
(RETINOL-BINDING
PROTEIN 2)		Acetic acid4 / 5
ASP A 289
VAL A 204
TRP A 207
GLU A 288
1.56A19.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Sildenafil5 / 12
TYR A 237
MET A 276
LEU A 271
SER B 284
ILE A 281
1.74A22.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.45A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine3 / 3
THR A 135
GLU A 240
ASN A 133
1.38A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Ibandronate4 / 8
SER B 139
LEU A  -2
MET A   6
LYS A   5
1.62A22.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 262
VAL A 204
LEU A 268
ASP A 245
LEU A 227
1.44A22.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		Trimetrexate5 / 12
ILE A 200
ASP A 197
THR A 111
ILE A 106
ILE A 136
1.52A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib5 / 12
ILE A 259
LEU A  -2
VAL A 296
GLY A   2
LEU A 282
1.28A21.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1N_D_H4BD760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 7
CYH B 265
ILE B 259
LEU B 205
ALA B 206
1.60A6.45
8.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5G_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5V_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3O_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL A  68
LEU A  67
HIS A  64
ASP A  92
1.10A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HX4_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		Miconazole5 / 12
ALA B 234
VAL B 204
LEU B 250
ALA B 210
TYR B 209
1.34A22.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQJ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_HFGA802_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
LEU A 287
PHE A 291
VAL A 204
SER A   1
GLY A  -1
1.77A18.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Ceftriaxone5 / 12
SER B   1
ASN B 214
GLY B  -1
GLY B 215
ASP B 216
1.60A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
ALA B   7
PHE B 185
GLY B 195
THR B 111
MET B 130
1.49A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		Theophylline4 / 5
SER B   0
GLY B 215
THR A 169
ASP B 216
1.50A21.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		Carbocisteine5 / 10
GLN B 299
GLY B   2
SER B   1
ALA A 116
GLY A 138
1.28A20.81
16.94
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Vitamin A5 / 12
PHE A 219
ALA A 211
LEU A 282
PHE A   3
LEU A 272
1.40A19.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl3 / 3
ARG B 298
PRO B   9
TYR A 118
1.00A22.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B 166
LEU B 167
PRO B 168
ALA B 173
GLY B 183
1.61A15.20
I12  B2145 (-3.7A)
None
I12  B2145 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGZ_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7O_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		Deoxycholic Acid4 / 5
ILE A 286
LEU A 287
ASP A 216
PHE A 219
1.60A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
HIS B  64
HIS B  80
LEU B  89
GLY B  79
1.16A20.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YO9_A_ACTA403_0
(3C-LIKE PROTEINASE)		Acetic acid5 / 5
TYR B 118
SER B 139
LEU B 141
MET A   6
GLN A 299
0.38A51.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		Tofacitinib6 / 12
LEU A 167
GLY A 170
GLY B   2
GLY A 138
VAL A 171
ALA A 194
1.66A21.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
SER A 123
LEU A  30
MET A  17
1.63A20.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VHU_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.38A21.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 10
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.35A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JMN_C_FUAC1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid3 / 3
VAL B  20
HIS B  80
VAL B  77
1.21A15.03
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
THR A 175
VAL A  20
CYH A  38
VAL A  42
TYR A  54
1.51A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 106
ILE B 136
GLY B 109
THR B 292
PHE B 294
1.64A23.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
SER B 301
VAL B 297
VAL B 212
GLY B 215
1.19A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 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_RTZC2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 10
THR A 225
LEU A 227
THR A 243
VAL A 247
VAL A 204
1.62A20.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLK_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2U_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE A   3
TYR B 126
PHE B 140
GLY A 302
1.18A22.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.36A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZR_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZGH_A_PQNA840_1
(PSAA
PSAJ)		Phylloquinone5 / 11
SER A   0
GLY A  -1
GLY B 138
ALA B 210
LEU B 208
1.37A17.49
10.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		Acetylsalicylic acid3 / 3
LEU A  -2
ALA A 210
ILE A 213
0.82A16.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
THR B 285
LEU A 271
GLY A 275
GLY A 278
THR A 285
1.56A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_C_C41C1328_1
(RENIN)		Aliskiren5 / 12
GLY A 283
SER A 284
PHE A 291
GLY A   2
SER B 139
1.22A23.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
LEU A  -2
GLY B 124
PHE A   8
TYR B 118
VAL A 303
1.78A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 7
TYR B 161
VAL B  13
HIS B 164
LEU B  86
1.53A21.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 10
ALA A 260
LEU A 205
LEU A 220
ALA A 267
ILE A 259
1.58A20.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
VAL A 171
ILE A 200
ASP A 197
ILE A 106
ILE A 136
1.54A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		Indinavir6 / 12
ARG B 131
GLY B 174
ASP B 176
ILE B 106
GLY B 149
ALA B 129
1.77A15.72
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Ergotamine4 / 7
THR B  26
LEU B  89
GLN B  83
LEU B  86
1.29A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.24A19.30
None
None
None
I12  A1145 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 8
LEU A  -2
SER A   1
ALA A 210
ALA A 211
1.12A13.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2U_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.71A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC0_A_RBFA303_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU A 290
GLY A 138
ALA B 210
ASN B 214
PHE B 291
1.38A22.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 115
TYR B 126
ALA A   7
GLY B 124
SER B 123
1.75A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5Q_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ILE A 106
GLN A 107
ILE A 249
ASP A 245
1.40A16.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_E_IPHE101_0
(INSULIN)		Phenol5 / 11
CYH B 265
ILE B 259
LEU B 250
LEU B 205
ALA B 206
1.53A6.45
10.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_H_LFXH101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin4 / 5
SER B  94
GLY B  15
GLU A  14
GLU B  14
1.78A21.24
20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.55A23.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX6_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		S-Adenosylmethionine5 / 12
GLU A 290
GLY A 109
GLU A 240
ALA A 173
HIS A 172
1.46A22.02
None
None
None
None
I12  A1145 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.75A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX1_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
PHE B 230
ALA B 234
LEU B 287
LEU B 272
LEU B 208
1.31A20.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.47A15.59
I12  A1145 (-4.0A)
None
I12  A1145 (-4.2A)
I12  A1145 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP A 289
ASN A 238
ILE A 106
ARG A 131
ASP A 197
1.64A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 11
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.38A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		Pantothenic acid4 / 5
GLU B 166
GLY B 138
SER A   0
GLY A   2
1.69A23.12
I12  B2145 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
VAL A  20
LEU A  30
GLY A  29
THR A  35
LEU A  75
1.45A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Cefotaxime5 / 12
ASN B 142
TYR B 118
GLY B 138
SER B 139
GLY A  -1
1.64A20.95
I12  B2145 (-3.4A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Vidarabine5 / 10
SER A   0
GLY B 138
GLU B 166
SER A   1
ILE B 136
1.79A23.45
None
None
I12  B2145 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCO_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
LEU A  -2
PRO A  -3
LEU B 141
ARG A 298
1.71A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Risedronate5 / 12
PHE B 112
ASP B 289
LYS B 137
THR B 135
ASP B 197
1.70A19.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		Acetic acid4 / 7
PRO A  -3
SER A   0
HIS B 172
SER A   1
1.76A19.68
None
None
I12  B2145 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Benzylpenicillin5 / 12
GLY A 283
GLY A   2
SER A   1
GLY A  -1
ARG A   4
1.61A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 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_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 264
GLU A 288
LEU A 208
VAL A 296
PHE A   3
1.42A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_B_AERB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 5
ARG A  60
ASP A  48
GLU A  55
VAL A 186
1.61A22.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Histidine4 / 4
SER A   0
GLY B 170
GLY A   2
GLY B 138
1.28A11.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
TYR A 126
THR A 169
PHE A 140
ALA A 116
ILE B 213
1.44A20.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 9
LEU B  75
VAL B  68
LEU B  27
MET B  17
LEU B  87
1.59A20.33
None
None
I12  B2145 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B 114
ALA B 116
SER B 147
GLY A  -1
LEU A  -2
1.51A20.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 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_PZIA801_0
(GLUTAMATE RECEPTOR 2)		Piracetam4 / 8
ILE A 281
SER A   1
GLY A 283
ASN A 214
1.14A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP6_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		Iloprost5 / 12
CYH B 117
THR A 304
SER B 123
VAL B 114
TYR B 126
1.75A23.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine5 / 12
ALA A 173
PRO A 184
GLY A 195
THR A 196
THR A 198
1.40A19.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)		Docetaxel5 / 12
ASP A 289
LEU A 227
THR A 243
PRO A 132
GLY A 109
1.64A20.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sorbitol4 / 6
GLY B 174
THR B 175
TYR B 161
GLY B 179
1.12A22.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX1_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMW_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.37A22.87
I12  A1145 ( 4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		Tacrine5 / 9
GLY B 146
PHE B 140
ILE B 136
HIS B 163
GLY B 174
1.72A20.15
None
None
None
I12  B2145 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3Y_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C39_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 6
SER B   1
GLY B   2
LEU B 282
GLU B 288
1.40A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
GLU B 166
GLY A  -1
GLY B 170
SER B 139
ALA B 116
1.53A20.36
I12  B2145 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)		Azelaic Acid5 / 7
GLY B  -1
SER A 139
PHE B   3
GLY B   2
LEU B 282
1.35A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_A_ADNA502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		Adenosine4 / 4
GLU A 240
THR A 243
THR A 225
LEU A 232
1.75A20.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Azithromycin4 / 6
PRO A 293
GLU A 270
LEU A 227
TYR A 239
1.41A21.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine5 / 12
ILE A 281
HIS B 172
LYS A  -3
GLY A   2
GLY A 283
1.26A20.12
None
I12  B2145 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU B  32
LEU B  30
SER B  10
LEU B 115
1.27A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
HIS B 163
ARG A   4
PRO A  -3
GLY A  -1
LEU A  -2
1.49A20.64
I12  B2145 (-4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 10
ILE A 213
PHE A   3
MET A   6
LEU B 141
LEU A  -2
1.51A23.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone5 / 12
VAL B  42
ILE B  43
GLY B  29
VAL B 148
LEU B 177
1.11A20.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLY_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		Acetic acid4 / 7
TYR B 118
TYR B 126
GLY B 138
LEU A  -2
1.48A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 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_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ARG A  60
ASP A  48
GLU A  55
VAL A 186
1.65A22.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_1
(PROTEASE)		Darunavir5 / 8
GLY A 215
ALA A 211
ASP A 216
GLY A   2
VAL A 296
1.68A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQC_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
ILE A 249
GLN A 244
LEU A 227
LEU A 205
1.16A17.67
10.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 5
MET A 130
ALA A 129
ILE A 136
ASP A 197
1.54A20.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2T_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQJ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		Lopinavir4 / 6
ASN B 119
GLY B  29
PRO B 122
THR A 304
1.51A14.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_0
(PROTEASE)		Darunavir6 / 12
LEU B  67
GLY B  71
ALA B  70
VAL B  36
GLY B 120
VAL B  68
1.74A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 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_C_30BC500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.53A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.59A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 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_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 264
GLU A 288
LEU A 208
VAL A 296
PHE A   3
1.67A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP B 289
ASN B 238
ASP B 197
GLU B 240
1.78A23.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_B_ACTB1430_0
(FPRA)		Acetic acid3 / 3
ASP B 153
ASP B 155
LYS B 102
1.77A19.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 8
ILE A 213
PHE A   3
LEU B 141
LEU A  -2
0.91A23.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU B 205
LEU B 208
ALA B 206
LEU B 253
HIS B 246
1.62A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
VAL A 171
ILE A 200
ASP A 197
ILE A 106
ILE A 136
1.53A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_1
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
SER B 158
ASP B 155
ASP B 153
1.01A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		Nicotinamide4 / 7
ASP A 295
ASN A 151
ILE A 152
ASP A 153
0.96A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ASP B 176
VAL B 104
GLY B 149
VAL B 114
ILE B 106
1.47A16.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 9
LEU B  86
VAL B  20
TYR B  37
GLY B  29
LEU B  87
1.65A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		Phenylacetic acid3 / 3
VAL A 125
TYR A 126
GLU A  14
1.72A22.48
10.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib5 / 12
LEU A 282
GLY A 283
ALA A 210
VAL A 296
GLY A  -1
1.35A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		Glycine4 / 4
LEU B 141
LEU A  -2
GLY A  -1
GLU B 166
1.56A20.36
None
None
None
I12  B2145 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Erythromycin3 / 3
THR A 280
SER A   0
LYS B 137
1.54A15.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Ponatinib6 / 12
LEU A  27
VAL A  42
ILE A  43
HIS A 164
LEU A  87
ASP A 187
1.73A21.33
I12  A1145 ( 4.6A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin4 / 7
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.77A21.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEO_A_017A402_2
(PROTEASE)		Darunavir6 / 12
LEU B  67
GLY B  71
ALA B  70
VAL B  36
GLY B 120
VAL B  68
1.71A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B 166
LEU B 167
PRO B 168
ALA B 173
GLY B 183
1.64A15.20
I12  B2145 (-3.7A)
None
I12  B2145 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		Acetic acid3 / 3
ARG A   4
SER A   1
TYR B 126
1.64A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 6
TYR B  54
ASP B 176
GLY B 179
TYR B 182
1.51A20.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  -1
GLY B 170
GLN A 299
ASP A 216
SER A   1
1.39A20.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG B 217
GLY B 215
SER B 301
1.04A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M00_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 9
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.36A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TYL_C_TYLC100_1
(INSULIN)		Acetaminophen4 / 5
CYH B 265
ILE B 259
LEU B 205
ALA B 206
1.74A6.45
8.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		Pemetrexed3 / 3
MET A   6
VAL A 157
GLU A  14
1.31A24.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q99_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 264
LEU A 253
ILE A 281
LEU A 282
LEU A 220
1.44A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6H_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.75A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		Nicotinamide4 / 7
LEU A 242
LEU A 262
ASN A 228
ASP A 229
1.02A21.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO8_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Sapropterin4 / 6
SER B  10
ARG B 298
PHE B   8
GLU A  14
1.78A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O76_A_CAMA1420_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
THR B 225
THR B 243
LEU B 262
VAL B 247
THR B 201
1.58A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.36A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OT2_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.51A17.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		Valproic Acid4 / 6
LEU B 202
ILE B 200
ASP B 295
PRO B 293
1.28A22.19
4.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		Trimetrexate5 / 11
VAL A 171
ILE A 200
ASP A 197
ILE A 106
ILE A 136
1.54A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WYG_A_SALA4005_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 10
LEU A  -2
SER A   1
ARG A   4
PHE B 140
ALA B 116
1.65A12.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		Ketorolac4 / 5
THR A 304
GLY B 124
VAL B 125
TYR B 118
1.62A21.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 10
PHE A 140
SER A 139
SER B   1
GLY A 124
ALA A 116
1.79A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE B 152
ASP B 153
VAL A 125
GLN B 127
0.99A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.21A19.30
None
None
None
I12  A1145 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9Y_A_FUNA500_1
(CARBONIC ANHYDRASE
II)		Furosemide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.61A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 7
GLY A  71
ALA A  70
LEU A  75
SER A 121
1.17A23.51
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
THR A 199
VAL A 204
GLU A 240
1.25A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD7_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCL_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		Diclofenamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.63A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin4 / 7
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.78A21.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.26A20.36
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Benzylpenicillin5 / 12
ASN B 214
GLY B  -1
SER B   0
GLY B 215
ASP B 216
1.65A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		S-Adenosylmethionine3 / 3
HIS B 163
GLU B 166
ASN B 142
1.59A20.45
I12  B2145 (-4.0A)
I12  B2145 (-3.7A)
I12  B2145 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		Celecoxib4 / 4
HIS B 246
VAL B 247
THR B 201
LEU B 208
1.48A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6H_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.73A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5V_C_ACTC510_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
ARG B 131
THR B 198
ASP B 197
GLU B 240
1.63A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE B 281
ASP B 216
GLY B 215
GLY B   2
ILE B 213
1.54A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		Acetic acid3 / 3
ILE B 259
VAL B 212
ARG B 217
1.14A21.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADD_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0N_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD4_B_CHDB927_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A 253
PRO A 252
ARG A 298
1.34A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
THR A  26
GLY A 146
GLY A  29
GLY A 120
THR A 175
1.40A22.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUP_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA501_0
(FERROCHELATASE)		Cholic Acid5 / 11
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.59A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Suramin5 / 11
GLY B 149
ARG B 298
ALA B   7
VAL B 114
ILE B 106
1.70A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		S-Adenosylmethionine5 / 11
LEU A 167
VAL A 171
GLY A 170
LYS B  -1
ALA A 194
1.78A17.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		Salicylic acid4 / 5
ALA B   7
PRO B   9
TYR A 126
ALA A 116
1.75A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Progesterone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.41A22.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_1
(-)		Acarbose5 / 12
VAL A 157
TYR A 182
TYR A 161
VAL A  13
CYH A  16
1.78A18.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.58A23.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 6
VAL A 212
LEU A 220
ILE A 259
TYR A 209
1.30A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD8_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D3B_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G2O_B_SAMB600_0
(PCZA361.24)		S-Adenosylmethionine5 / 12
GLY B 170
ASP B 197
SER B 139
GLY A   2
SER A   1
1.36A21.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HX3_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UKB_A_BEZA1300_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid5 / 11
GLY A 251
ALA A 206
LEU A 202
VAL A 297
VAL A 296
0.95A23.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		S-Adenosylmethionine5 / 12
ALA B 173
GLY B 183
GLU B 166
LEU B 167
PRO B 168
1.60A15.20
None
None
I12  B2145 (-3.7A)
None
I12  B2145 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 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_G_SVRG506_1
(PHOSPHOLIPASE A2)		Suramin4 / 8
VAL A 303
GLY B 124
PRO A   9
LYS A  -3
1.30A17.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT8_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N6A_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		S-Adenosylmethionine5 / 10
ILE B 136
GLU B 166
ASN A 214
LYS A  -3
GLU B 290
1.68A19.08
None
I12  B2145 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUQ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_0
(REPRESSOR PROTEIN
MPHR(A))		Erythromycin5 / 12
THR A 111
VAL A 296
LEU A 282
TYR A 239
ILE A 281
1.35A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3U_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B 136
ALA B 173
PRO A  -3
ASN A 214
TYR B 161
1.75A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQL_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		Acetic acid3 / 3
ARG B 188
PRO B  52
ASN B  53
1.58A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LYS B 269
LEU B 268
LEU B 208
PHE B 219
1.39A21.81
12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.74A18.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_A_FFOA1002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin6 / 12
LEU B 115
GLY B 149
SER B 113
SER B 121
PRO B 122
PHE A 305
1.49A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		Trimetrexate5 / 10
VAL A 171
ILE A 200
ASP A 197
ILE A 106
ILE A 136
1.55A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
LEU B 282
GLY B   2
GLU A 166
GLY A 138
SER B 284
1.41A20.78
None
None
I12  A1145 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		Donepezil5 / 11
GLY B 138
TYR B 126
SER A   1
TYR B 161
GLY B 170
1.74A19.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		Nabumetone5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.52A17.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		Estrone4 / 8
TYR B 237
LEU B 268
LEU B 287
THR B 285
1.48A22.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		Vorinostat5 / 12
HIS A  41
PRO A  39
GLY A 174
ASP A 176
GLY A 179
1.40A23.26
I12  A1145 (-4.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VW4_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide5 / 9
THR B 135
ALA B 173
GLY B 138
GLU B 166
SER A   0
1.57A20.52
None
None
None
I12  B2145 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		Benzylpenicillin5 / 12
LEU A 253
ASP A 248
LEU A 227
VAL A 261
ILE A 249
1.43A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTW_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D31_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin6 / 12
VAL B 261
CYH B 265
ALA B 267
LEU B 271
PHE B 219
LEU B 220
1.68A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6I_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		S-Adenosylmethionine6 / 12
TYR A 101
LEU A  87
SER A  81
VAL A  36
VAL A  68
VAL A  20
1.77A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		S-Adenosylmethionine6 / 12
LEU B 253
VAL B 296
LEU B 250
LEU B 202
THR B 292
ALA B 206
1.67A18.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS B 163
GLU B 166
ASN B 142
1.60A20.90
I12  B2145 (-4.0A)
I12  B2145 (-3.7A)
I12  B2145 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE A 219
LEU A 208
LEU A 287
0.88A20.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FC5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		S-Adenosylmethionine4 / 5
GLY B 179
ARG B  40
ASP B 176
GLN B 107
1.38A22.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNE_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADC_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.36A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.33A20.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGV_A_ZITA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Azithromycin5 / 12
ILE B 259
GLY B 258
ASP B 216
ALA B 206
SER B   0
1.47A20.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADC_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_CLMB221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
THR A 199
LEU A 205
VAL A 261
PHE A 230
CYH A 265
1.42A24.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GQE_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D32_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP B  48
ASP B 187
ASP B  56
1.07A23.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NM0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		S-Adenosylmethionine5 / 12
HIS A 172
GLY B   2
GLY A 138
LEU B 282
SER B   0
1.55A23.48
I12  A1145 (-4.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
LEU B 287
GLU B 288
ILE B 286
GLY B 283
ILE A 286
1.43A21.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5D_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LZX_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_C_IPHC101_0
(INSULIN)		Phenol5 / 11
LEU A  58
CYH A  38
LEU A  87
VAL A  20
LEU A  27
1.46A6.45
10.82
None
None
None
None
I12  A1145 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.35A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IKW_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 10
LEU B  86
VAL B  20
TYR B  37
GLY B  29
LEU B  87
1.62A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		Phenylbutazone5 / 12
LEU A 208
LEU A 205
ALA A 260
ILE A 259
ALA A 266
1.10A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY B 174
GLY B 179
ILE B 136
ALA B 173
LEU B 167
1.47A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 10
ASP A 295
SER A  10
SER B  10
ILE A 152
THR A 111
1.63A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSG_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
PHE B 219
ILE B 281
LEU B 272
GLY B 275
ASN B 277
1.56A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CCV_C_RFPC1205_1
(-)		Rifampicin5 / 12
GLN A 192
ASP A 187
ARG A 188
ARG A  40
HIS A 164
1.62A13.73
I12  A1145 (-4.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A 281
GLY A 283
PHE A   3
ALA A 211
VAL A 204
1.34A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		Calcipotriol5 / 12
LEU B 271
LEU B 282
SER B   1
LEU B 250
LEU B 253
1.47A22.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 7
GLY A  -1
LEU A  -2
GLY A   2
LEU A 282
ILE A 259
1.31A11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 12
PHE B 112
ALA B 194
ALA B 173
GLY B 183
TYR B 182
1.63A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine5 / 12
ILE B 136
GLY B 170
GLY A  -1
SER A   1
LEU B 167
1.46A21.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 275
ASN B 277
ARG B 279
LEU B 268
PHE B 230
1.30A20.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
PHE A 159
TYR A 101
TYR A  37
LEU A  30
1.28A20.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol4 / 4
CYH B 265
LEU B 250
LEU B 205
ALA B 206
1.62A6.45
8.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE B 152
ASP B 153
VAL A 125
GLN B 127
1.00A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Acetic acid3 / 3
SER A   0
GLY B 170
THR B 169
0.76A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_A_DCFA353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU B  32
LEU B  30
SER B  10
LEU B 115
1.21A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 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_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 7
ILE A 106
VAL A 303
ILE A 152
ASN A 203
1.20A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)		Tretinoin5 / 12
THR B 224
ALA B 267
LEU B 220
THR B 257
GLN B 244
1.47A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Cefoxitin5 / 12
SER B   0
ASN B 214
GLY B  -1
GLY B 215
ASP B 216
1.64A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU B 208
ALA B 211
LYS B   5
PHE B 294
THR B 292
1.64A15.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.73A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLU A 240
THR A 243
THR A 225
LEU A 232
1.76A21.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
GLY A 138
GLY B   2
SER B   1
PHE B 291
PHE B   3
1.64A19.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCH_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.74A20.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ARG A   4
SER B 139
ALA B 116
ALA B   7
1.49A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG A 131
GLU A 290
SER B   0
1.31A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin4 / 7
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.78A21.99
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		Benzyl alcohol3 / 3
MET B 130
HIS B 134
GLY B 174
1.41A45.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQK_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5E_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		S-Adenosylmethionine6 / 9
ALA B 210
VAL B 212
VAL B 296
ILE B 259
LEU B 208
ALA B 206
1.70A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FW0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNG_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2R_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin3 / 3
LEU B 282
PHE B   3
ARG A   4
1.11A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac4 / 7
LEU A  -2
LEU B 141
SER B 144
SER B 147
1.30A19.27
None
None
I12  B2145 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		L-Threonine5 / 9
ASP A 295
GLY B 124
ALA A   7
GLN A 127
THR A 111
1.66A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIC_A_H4BA802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A21.81
20.38
I12  A1145 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 136
GLY A 109
THR A 292
PHE A 294
ILE A 106
1.54A23.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		Ritonavir4 / 7
LEU A 253
ALA A 211
ASP A 216
ILE A 286
0.91A14.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQK_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		Tofacitinib6 / 12
GLY B 138
GLY A  -1
GLY B 170
ALA B 173
SER B 144
ASN B 142
1.63A20.68
None
None
None
None
I12  B2145 (-4.2A)
I12  B2145 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		S-Adenosylmethionine5 / 11
ILE B 136
GLU B 166
ASN A 214
LYS A  -3
GLU B 290
1.62A20.61
None
I12  B2145 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		Benzoic Acid5 / 8
GLY A 170
GLY B   2
SER B   0
LEU B 282
ILE B 213
1.53A20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGZ_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE B 281
ASP B 216
GLY B 215
GLY B   2
ILE B 213
1.48A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 10
GLU A 166
GLY A 138
GLY B   2
LEU A 167
ALA A 173
1.28A23.58
I12  A1145 (-3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 4
LEU A 271
GLY A 275
LEU A 272
GLU A 270
1.73A16.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7C_B_ACTB502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
GLU B 240
ARG B 131
THR B 198
ASP B 197
1.65A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.33A20.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
ILE A 286
LEU A 287
GLY A 283
ILE A 281
GLY B 138
1.29A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.37A22.87
I12  A1145 ( 4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH1_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
ASP A 229
ASN A 231
PHE A 223
1.29A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTV_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 6
HIS A 164
ASN A  28
VAL A 148
LEU A 177
1.59A14.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A  -2
PRO A  -3
LEU B 141
0.70A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QGB_B_BEZB802_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		Benzoic Acid5 / 10
GLY A  -1
SER B 139
LEU A 282
ALA A 210
PHE A   3
1.74A19.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1475_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 8
ILE B 152
ASP B 153
VAL A 125
GLN B 127
1.01A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X30_A_T44A401_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 9
ALA A 206
GLN A 244
LEU A 227
LEU A 250
LEU A 242
1.74A23.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3V_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin4 / 7
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.79A21.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JTA_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		S-Adenosylmethionine5 / 12
VAL A 247
LEU A 253
LEU A 208
LEU A 271
PHE A 230
1.61A22.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU B 141
SER A   1
VAL A 212
GLY A 215
1.38A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCH_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		Decamethonium4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.55A21.74
None
None
I12  A1145 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCJ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxal4 / 7
GLY B  29
GLY B 146
VAL B  20
HIS B  41
1.08A22.49
None
None
None
I12  B2145 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2S_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D2Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAL_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 11
GLN B 110
PHE B 112
ASP B 295
ILE B 249
GLN B 127
1.34A14.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_B_MTXB402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 11
PHE B 219
ILE B 281
LEU B 272
GLY B 275
ASN B 277
1.59A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ILE A 106
GLN A 107
ILE A 249
ASP A 245
1.43A16.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_C_9F2C302_1
(BETA-LACTAMASE)		Ceftriaxone5 / 10
GLN A 110
ILE A 249
TYR A 209
THR A 257
ASP A 153
1.77A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		Phenol4 / 4
ILE B 136
LEU B 167
HIS B 134
ALA B 194
0.93A6.45
8.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM7_A_29JA603_1
(TRANSPORTER)		Desvenlafaxine5 / 10
ASP A 153
SER A 158
GLY A 149
ASP A 295
THR A 292
1.73A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H1E_A_VDXA501_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B  58
ARG B  88
VAL B  42
HIS B  41
HIS B 164
1.61A21.65
None
None
None
I12  B2145 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ILE A 106
GLN A 107
ILE A 249
ASP A 245
1.35A16.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SG9_B_KANB305_1
(APH(2'')-ID)		Kanamycin4 / 8
ASN A 214
HIS B 172
GLU B 290
GLU B 288
1.12A18.51
None
I12  B2145 (-4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUQ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		Niacin4 / 7
GLY B   2
ILE B 213
GLN B 299
LEU B 282
1.28A14.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Fludarabine5 / 11
SER B   1
GLY A 138
VAL A 171
GLU A 166
SER A 139
1.60A23.28
None
None
None
I12  A1145 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE B 152
ARG B 298
PRO B 122
VAL B 125
1.40A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		Baclofen4 / 8
SER A   1
SER B 139
HIS B 172
GLU B 166
1.42A22.41
None
None
I12  B2145 (-4.1A)
I12  B2145 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 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_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
ALA A 206
LEU A 208
THR A 199
LEU A 272
LEU A 287
1.45A21.06
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Acetylcysteine4 / 6
ASP A 216
SER A   1
LEU A  -2
GLY A   2
1.62A21.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
ASP B 176
VAL B 104
GLY B 149
VAL B 114
ILE B 106
1.43A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_E_TRPE81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.69A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY A  -1
PRO B 168
LEU B 141
ASN B 142
CYH A 300
1.79A20.63
None
I12  B2145 (-3.4A)
None
I12  B2145 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3N_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		Acetic acid4 / 5
GLY B 138
SER A   1
PHE B 140
GLU B 166
1.69A23.89
21.02
None
None
None
I12  B2145 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		Dasatinib5 / 11
ALA A 206
GLU A 290
TYR A 209
LEU A 208
ASP A 289
1.52A21.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OM4_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3P_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		Minocycline5 / 9
SER B 284
PHE A   3
GLY A   2
ILE A 281
ALA A 211
1.62A19.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		Ethopropazine4 / 8
GLY B  23
THR B  25
SER B  65
TYR B  54
1.54A21.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin5 / 11
PHE A   3
THR A 111
GLY A 109
ASP A 289
GLN A 110
1.60A15.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
SER B   0
GLY B 283
ALA B 211
ILE B 281
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG B 298
ASN B 203
PRO B 293
ALA B 206
1.41A23.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUB_B_TXLB501_1
(TUBULIN)		Docetaxel5 / 12
ASP A 289
LEU A 227
THR A 243
PRO A 132
GLY A 109
1.64A20.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D30_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSH_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin5 / 12
LEU A 205
LEU A  -2
PHE A 219
LEU A 220
ARG A 217
1.55A13.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		Gabapentin5 / 10
TYR B 161
MET B 130
THR B 135
TYR B 126
VAL B 114
1.64A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SVQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_G_AZMG402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.63A19.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QUO_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin5 / 8
GLY A 170
HIS A 172
GLY B  -1
SER B   1
SER B   0
1.20A21.02
None
I12  A1145 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_C_MK1C402_2
(HIV-II PROTEASE)		Indinavir5 / 8
ARG A 217
ALA A 210
GLY A   2
PRO A  -3
ILE A 213
1.77A16.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LZZ_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.69A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 8
ILE A 249
GLN A 244
LEU A 227
LEU A 205
1.24A17.67
10.73
None
Potential target for repurposing, i.e. matched protein structure has less than 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_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		S-Adenosylmethionine5 / 12
GLY B 138
GLY A  -1
VAL B 171
ILE A 213
ALA A 211
1.41A22.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		Tigecycline5 / 12
ARG A 279
PHE A 219
ASN A 277
GLY A 283
ASN A 214
1.55A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OKX_A_198A1002_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
LEU B 282
ASN B 214
MET B 276
LEU B 208
1.49A20.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		Tacrolimus5 / 10
LEU A 268
LEU A 262
LEU A 227
LEU A 242
LEU A 272
1.38A19.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1N_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
THR B 225
THR B 243
LEU B 262
VAL B 247
THR B 201
1.65A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
PHE A 159
TYR A 101
TYR A  37
LEU A  30
1.28A20.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		Riboflavin5 / 12
ILE A 200
GLN A 127
ALA A 129
ASN A 151
ILE A 106
1.46A21.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_O_C41O1327_1
(RENIN)		Aliskiren5 / 12
GLY B 124
ALA A 210
PHE A   3
SER A 301
ILE A 152
1.38A23.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
SER B 144
GLY B 143
GLY A 302
ILE A 259
LEU A 220
1.40A18.78
10.07
I12  B2145 (-4.2A)
I12  B2145 (-2.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LHU_A_ESTA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Estradiol5 / 12
PHE B 159
MET B  17
SER B 147
LEU B 115
ILE B 152
1.45A19.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		Acetylcholine4 / 7
TYR B 161
TYR B 118
TYR B 126
GLY B 124
1.64A21.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YDA_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.58A22.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
ASP A 176
HIS A  41
HIS A 164
PHE A 181
GLY A 146
1.78A20.67
None
I12  A1145 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ARG A   4
GLN A 299
GLY B 124
ALA B 116
TYR B 118
1.75A20.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH5_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_C_CUC605_0
(TYROSINASE)		Copper4 / 5
CYH A 145
HIS A  41
HIS A 164
PHE A 181
1.79A20.90
I12  A1145 (-1.8A)
I12  A1145 (-4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.52A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HC4_A_VDXA525_2
(VITAMIN D RECEPTOR)		Calcitriol4 / 7
LEU A 205
LEU A 208
ARG A 217
TRP A 218
1.04A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 8
LEU B 141
THR A 304
VAL A 303
ALA B 116
1.21A13.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		Ibuprofen4 / 4
GLY A 138
VAL A 114
GLY A 174
THR A 175
1.13A21.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
ILE A 249
GLN A 244
LEU A 227
LEU A 205
1.20A17.67
10.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.72A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADA_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.28A44.55
I12  A1145 (-4.1A)
I12  A1145 ( 4.6A)
I12  A1145 (-4.2A)
I12  A1145 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		Niflumic Acid4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.52A19.88
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
HIS B  41
GLY B 146
LEU B  86
VAL B  20
GLN B  19
1.49A21.52
I12  B2145 (-4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD5_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_G_RBFG200_1
(DODECIN)		Riboflavin4 / 8
HIS A 164
ARG A  40
THR A 190
GLN A 189
1.73A13.43
None
None
None
I12  A1145 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 12
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.35A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCO_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
GLY B 170
LYS A  -3
LEU B 141
GLY A 283
LEU A 282
1.23A21.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		Tigecycline5 / 11
ARG A 279
PHE A 219
ASN A 277
GLY A 283
ASN A 214
1.39A23.50
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_CHDB1104_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  -2
PRO A  -3
LEU B 141
0.75A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2R_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
SER B 139
GLY A  -1
ILE A 281
GLY A 283
GLU B 290
1.47A18.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_B_ERYB195_0
(REPRESSOR PROTEIN
MPHR(A))		Erythromycin5 / 12
THR A 111
VAL A 296
LEU A 282
ILE A 200
ILE A 281
1.21A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin4 / 7
SER B  10
ARG B 298
PHE B   8
GLU A  14
1.78A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUR_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Diclofenac5 / 9
PHE A 150
PHE A 112
SER A  10
LEU A 115
VAL A 125
1.76A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		Benzyl Benzoate5 / 12
ILE B 136
SER A   0
GLY B 138
GLY B 170
HIS B 163
1.55A22.09
None
None
None
None
I12  B2145 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.40A22.87
None
Potential target for repurposing, i.e. matched protein structure has less than 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_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 264
GLU A 288
LEU A 208
VAL A 296
PHE A   3
1.45A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine5 / 12
GLY B  29
THR B  21
LEU B  67
VAL B 148
GLY B 120
1.21A18.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		Atovaquone5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
1.52A22.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.80A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		Acetic acid4 / 7
ILE A 152
ARG A 298
GLY B 124
SER A 113
1.16A22.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.58A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 5
LEU A 227
ASP A 245
GLU A 240
VAL A 204
1.75A22.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		Acarbose4 / 7
GLY B 170
GLY A  -1
GLY A   2
GLY A 283
1.10A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		S-Adenosylmethionine5 / 12
GLY A  15
GLU B  14
LEU B 115
VAL A 125
ALA B   7
1.39A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_FFOA1293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin6 / 12
LEU B 115
GLY B 149
SER B 113
SER B 121
PRO B 122
PHE A 305
1.52A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2REZ_A_ACTA155_0
(MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN)		Acetic acid4 / 5
ARG B 298
GLY A 124
PRO B   9
PHE B   8
1.61A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 262
VAL A 204
LEU A 268
ASP A 245
LEU A 227
1.44A22.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		Acarbose5 / 12
GLU B 166
GLY B 170
GLY A  -1
GLY B 183
HIS B 163
1.53A18.97
I12  B2145 (-3.7A)
None
None
None
I12  B2145 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5E_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 10
GLY B 170
GLU B 166
LYS A  -3
SER A   0
ASN A 214
1.75A15.21
None
I12  B2145 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH1_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLW_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FW0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Teniposide5 / 12
LEU B 141
ALA A   7
ILE A 213
LEU A 282
GLY A 215
1.52A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6J_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sunitinib5 / 11
LEU A 282
ALA A 210
VAL A 296
GLY A  -1
LEU A  -2
1.44A21.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPM_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Grazoprevir5 / 12
GLY B 143
VAL A 303
LEU B  30
GLY B 146
SER B 147
1.46A23.13
I12  B2145 (-2.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT7_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HX4_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		Adenosine5 / 11
GLY A 149
ILE A 106
ASP A 176
LEU A 177
ILE A 136
1.59A22.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FEK_A_ADNA1104_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine5 / 11
GLY B  11
VAL B  13
VAL B 148
ALA B 116
GLY B 124
1.19A22.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP A 289
ASN A 238
ILE A 106
ARG A 131
ASP A 197
1.67A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		Minocycline4 / 8
ARG A 279
PHE A 219
GLY A 283
ASN A 214
1.12A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole5 / 9
LEU A 205
VAL A 247
ILE A 259
ALA A 260
THR A 224
1.35A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMV_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 11
GLY B 283
ALA B 211
ILE B 281
GLY A 170
SER B   0
1.37A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B 136
ALA B 173
PRO A  -3
ASN A 214
TYR B 161
1.79A18.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1N_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNY_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B8J_B_ADNB331_1
(CLASS B ACID
PHOSPHATASE)		Adenosine5 / 10
SER A 158
PHE A 159
LEU A  30
GLY A  15
TYR A 101
1.56A19.20
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Ceftriaxone5 / 12
SER B   1
ASN B 214
GLY B  -1
GLY B 215
ASP B 216
1.67A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		S-Adenosylmethionine5 / 12
GLY A  11
GLY B  11
GLU A  14
PRO B   9
PHE A 150
1.64A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
GLY B  -1
ASN A 142
ALA B 211
ALA B 210
THR B 257
1.35A22.60
None
I12  A1145 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid5 / 12
LEU B  87
CYH B  22
GLY B  23
LEU B  58
ILE B  59
1.41A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D2Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5F_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B  -1
HIS A 164
VAL A 114
PHE A 112
ILE A 136
1.26A21.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
ALA B   7
ALA A 116
GLY B 302
THR B 292
THR B 111
1.49A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.53A23.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3X_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.27A20.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA B 129
GLY B 109
LEU B 208
LEU B 282
LYS B   5
1.31A17.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBD_A_TRPA903_0
(PROTEIN ARGONAUTE-2)		L-Tryptophan4 / 6
ILE A 106
GLN A 107
ILE A 249
ASP A 245
1.43A16.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		Tamoxifen6 / 12
PHE B 159
GLY B 146
VAL B  20
LEU B  86
LEU B  32
LEU B  89
1.67A20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 283
GLY A   2
LEU A 253
ASP A 216
VAL A 212
1.36A21.17
None