PDB ID: 3vb6


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3vb6'

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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		Saquinavir5 / 12
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.28A16.89
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.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		Deoxycholic Acid5 / 12
TYR A  37
GLY A  29
VAL A  77
LEU A  75
ASP A  34
1.60A19.21
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.
4HAJ_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.19A11.45
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		Adenosine5 / 11
ALA B 211
ALA B 210
GLY B   2
GLY B 283
ILE B 281
1.66A19.66
None
Potential target for repurposing, i.e. matched protein structure has less than 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 A 163
GLU A 166
ASN A 142
1.56A20.00
0JU  E   7 (-4.4A)
0JU  E   7 (-3.8A)
0JU  E   7 (-4.1A)
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 7
LEU B 253
SER B 254
LEU B 205
THR B 292
ALA B 206
1.32A21.34
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		Darunavir5 / 9
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.42A11.76
0JU  E   7 ( 4.3A)
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A  35
GLY A  79
ASN A  63
HIS A  80
SER A  94
1.47A19.94
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 10
LEU B 115
GLY A   2
GLY B 138
ILE B 136
VAL B 125
1.39A18.02
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 9
VAL B 212
PHE B 219
ILE B 259
ALA B 266
THR B 224
1.57A23.59
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.
4HBF_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.13A10.77
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.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		4-Androstenedione5 / 12
HIS B 172
GLN A 299
ALA A 210
ASN A 214
GLY B 170
1.55A21.23
0JU  F   7 ( 4.8A)
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.43A11.76
0JU  E   7 ( 4.3A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		Cefamandole4 / 8
LEU F   6
ALA B 191
THR B 190
GLY B 174
1.26A1.89
0JU  F   7 ( 4.4A)
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.42A11.76
0JU  E   7 ( 4.3A)
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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
LEU A 242
LEU A 205
VAL A 261
ILE A 249
THR A 225
1.56A17.61
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		Chloramphenicol5 / 12
PHE B 305
PRO A 122
GLU A  14
CYH A 117
ALA A   7
1.73A19.27
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.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		Rivaroxaban5 / 12
PHE B   8
SER A 139
CYH B 300
GLY B 302
TYR A 118
1.46A19.81
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		Indinavir5 / 8
ALA A 116
GLY B   2
GLY A 138
ILE A 136
ALA A   7
1.18A16.38
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.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU E   6
HIS A 164
ASP A 187
LEU A  86
GLY A 146
1.79A6.25
0JU  E   7 ( 4.3A)
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
PHE A 181
PRO A  52
ALA E   4
MET A 165
LEU E   6
1.47A23.87
None
None
None
None
0JU  E   7 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 9
LEU A 242
LEU A 205
VAL A 261
ILE A 249
THR A 225
1.43A20.20
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.
6G31_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 6
ASP A 295
ARG A 298
GLN A 127
GLN A 110
1.73A21.87
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 12
LEU B 115
MET A   6
PHE A   8
SER B 121
ILE A 152
1.55A20.06
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 12
ASP A 187
LEU E   6
GLU A 178
GLY A 174
ALA A 173
1.49A14.24
None
0JU  E   7 ( 4.3A)
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.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
LEU B 250
LEU B 253
ILE B 213
SER B 301
LEU B 208
1.29A20.05
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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		Carbocisteine4 / 5
HIS B 172
GLU B 166
ALA F   4
HIS B  41
1.23A21.82
0JU  F   7 ( 4.8A)
0JU  F   7 (-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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
LEU A 220
ALA A 267
LEU A 242
PHE A 219
LEU A 227
1.39A20.13
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole6 / 12
PHE B 223
ALA B 267
LEU B 287
VAL B 212
ALA B 211
LEU B 271
1.64A19.86
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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		Progesterone5 / 12
LEU A 287
LEU A 282
LEU A 268
MET A 264
THR A 199
1.40A20.71
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.
6A94_B_ZOTB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Zotepine5 / 12
SER A 123
THR B 304
GLY A 120
SER A 121
VAL A 114
1.30A20.98
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.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
MET B   6
GLY A 138
VAL A 171
PHE B   3
LEU A 141
1.64A20.48
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.
2QMM_A_SAMA301_0
(UPF0217 PROTEIN
AF_1056)		S-Adenosylmethionine5 / 9
GLU A 166
ILE A 136
GLY A 138
GLY B   2
LEU A 167
1.10A22.36
0JU  E   7 (-3.8A)
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.
4QOP_C_HQEC503_1
(CATALASE)		Hydroquinone4 / 8
ILE A 200
TYR A 239
LEU A 242
PHE A 230
1.09A20.12
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU F   6
LEU B  27
ILE B  43
MET B  49
1.39A8.00
9.80
0JU  F   7 ( 4.4A)
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Rifampicin5 / 12
PHE B 294
PHE B 112
PHE B   8
ASN B 203
GLY B 109
1.48A14.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z97_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 6
LEU A  67
VAL A  20
VAL A  91
VAL A  36
1.35A20.56
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG A 131
GLU A 290
ARG B   4
GLU A 288
ALA A 206
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.
3KP6_B_SALB3007_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid5 / 9
ALA B 191
GLN B 192
ALA F   4
ASN B  51
ARG B 188
1.75A18.63
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		S-Adenosylmethionine3 / 3
HIS A 163
GLU A 166
ASN A 142
1.54A19.87
0JU  E   7 (-4.4A)
0JU  E   7 (-3.8A)
0JU  E   7 (-4.1A)
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine5 / 8
ARG A 188
ALA E   4
GLN A 192
LEU A 167
ASP A 187
1.72A21.49
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		Azacitidine5 / 9
HIS A 164
LEU A  87
GLY A  29
VAL A  42
LEU E   6
1.51A20.90
None
None
None
None
0JU  E   7 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.57A22.49
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin5 / 12
ASP A 187
LEU E   6
GLU A 178
GLY A 174
ALA A 173
1.47A13.85
None
0JU  E   7 ( 4.3A)
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib4 / 7
VAL B 157
TYR A 118
CYH A 117
CYH B  16
1.22A19.65
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.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
ILE B 249
LEU B 250
VAL B 261
0.93A9.83
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole5 / 12
GLY A 143
LEU A 167
PHE A 185
GLY A 183
HIS A 163
1.55A19.85
0JU  E   7 (-3.4A)
None
None
EDO  A 401 (-3.8A)
0JU  E   7 (-4.4A)
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.
4J5J_B_478B401_1
(PROTEASE)		Amprenavir5 / 8
LEU F   6
GLY B 174
ALA B 173
GLY B 138
VAL F   5
1.54A5.19
0JU  F   7 ( 4.4A)
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		Colfosceril palmitate5 / 9
THR B  25
LEU B  27
HIS B  80
LEU B  57
GLU B  55
1.58A21.52
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		Ketorolac4 / 5
THR B 304
GLY A 124
VAL A 125
TYR A 118
1.58A21.70
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.45A5.19
0JU  E   7 ( 4.3A)
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.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
VAL B 114
ALA B 116
SER B 139
SER A   1
TYR B 118
1.63A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole5 / 10
LEU A 262
LEU A 268
ALA A 267
VAL A 212
THR A 257
1.27A21.31
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.
5JCN_B_ASCB502_0
(OS09G0567300 PROTEIN)		Vitamin C4 / 6
GLU A  14
PRO B   9
GLY B  11
PHE B 150
1.72A21.35
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
LYS E   4
VAL A  68
LEU A  89
GLY A  29
SER A 147
1.61A3.55
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.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLY A 138
ILE A 136
VAL A 171
ASP A 197
PHE B   3
1.46A20.78
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin5 / 12
ASP A 187
LEU E   6
GLU A 178
GLY A 174
ALA A 173
1.47A13.85
None
0JU  E   7 ( 4.3A)
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
ARG A 298
ILE A 152
GLY A 149
PHE A 150
TYR A 182
1.72A21.49
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid6 / 12
VAL B 125
LEU B 115
SER B 113
VAL B  13
GLY B  11
SER A  10
1.70A20.30
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.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU A 242
LEU A 205
VAL A 261
ILE A 249
THR A 225
1.37A21.00
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.40A11.76
0JU  E   7 ( 4.3A)
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
ALA A 267
GLU A 270
LEU A 268
VAL A 204
0.93A18.70
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.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		Apixaban5 / 12
PHE B   8
SER A 139
CYH B 300
GLY B 302
TYR A 118
1.45A19.81
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.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid4 / 8
SER B   1
SER A 139
GLY B 302
GLN B 299
1.32A19.78
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 10
PHE A 219
LYS A 269
ILE A 259
VAL A 212
ALA A 206
1.51A20.95
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 10
VAL F   5
LEU A 282
VAL B 171
ARG A 298
ILE A 213
1.56A6.02
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.
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
1.66A21.56
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU E   6
ASP A 187
MET A  49
ARG A  40
1.57A8.16
11.54
0JU  E   7 ( 4.3A)
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU F   6
LEU B  27
ILE B  43
MET B  49
1.38A8.16
11.54
0JU  F   7 ( 4.4A)
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  29
GLY A 146
LEU A  27
VAL A  36
LEU A  89
1.34A19.41
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		Benzylpenicillin4 / 8
SER B 139
ALA A 210
PHE A   3
ILE A 213
1.17A19.93
20.43
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.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU A 242
LEU A 205
VAL A 261
ILE A 249
THR A 225
1.48A21.00
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.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE A 150
SER B 123
LEU B 115
VAL B  13
VAL B 125
1.62A24.09
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		Tioconazole6 / 10
LEU B 208
VAL B 212
ALA B 260
THR B 224
ALA B 266
LEU B 220
1.66A21.62
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.
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
1.74A21.54
19.80
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.43A5.19
0JU  E   7 ( 4.3A)
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A  35
GLY A  79
ASN A  63
HIS A  80
SER A  94
1.57A19.94
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 11
ASP A 153
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.52A19.93
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		Acetic acid4 / 5
ALA B 266
LEU B 271
LYS B 269
ASN B 221
1.20A22.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SEL_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 8
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.11A11.45
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
LEU B 115
GLY B 149
SER B 113
SER B 121
PRO B 122
1.36A20.19
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 12
ALA B 211
LEU B 253
GLY B   2
ASP B 295
PHE B 291
1.33A19.83
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.43A11.76
0JU  E   7 ( 4.3A)
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
SER B 123
GLY B 146
LEU F   6
ASP B 187
PHE B 181
1.56A21.82
None
None
0JU  F   7 ( 4.4A)
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
LYS F   4
VAL B  68
LEU B  89
GLY B  29
SER B 147
1.54A3.55
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.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		Troglitazone5 / 12
PHE B 181
ALA B 173
THR B 190
ALA F   4
CYH B  85
1.73A17.79
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.
4HC3_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.08A12.12
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.40A11.76
0JU  E   7 ( 4.3A)
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.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Rifampicin5 / 12
PHE B 294
PHE B 112
PHE B   8
ASN B 203
GLY B 109
1.44A14.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
LEU A 242
LEU A 205
VAL A 261
ILE A 249
THR A 225
1.40A19.87
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.42A11.76
0JU  E   7 ( 4.3A)
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.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
GLN B 299
PHE A 140
ILE A 136
GLY A 138
VAL A 171
1.16A22.00
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.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Risperidone5 / 12
THR B  35
LEU B 115
PHE B 159
PHE B 103
VAL B 157
1.54A20.98
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		Tioconazole6 / 11
LEU B 208
VAL B 212
ALA B 260
THR B 224
ALA B 266
LEU B 220
1.54A21.62
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR B  25
VAL B  68
ASN B  63
CYH B  38
LEU B  58
1.74A21.30
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.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid3 / 3
THR A 169
LYS A   5
GLU A 166
1.62A20.93
None
None
0JU  E   7 (-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.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		S-Adenosylmethionine5 / 12
GLY B   2
GLY B 283
ILE B 286
SER A 284
TYR A 126
1.70A20.68
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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		Levothyroxine4 / 8
ALA A  46
LEU A  50
ALA E   4
THR A 190
1.20A18.21
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL B 296
LEU B 208
ALA B 210
THR B 280
GLY B   2
1.36A21.29
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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		Progesterone4 / 8
GLY B   2
GLY A 138
HIS A  41
VAL E   5
1.29A20.06
21.90
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.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		Acetic acid3 / 3
ALA A 234
VAL A 233
GLN A 273
1.19A20.82
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.45A5.19
0JU  E   7 ( 4.3A)
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		Cefoxitin5 / 12
ALA A 116
SER A 123
LEU A 141
ARG B 298
GLY A 124
1.19A22.28
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA E   4
ALA A 193
GLY A 183
ALA A 173
1.20A3.85
None
None
EDO  A 401 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir5 / 11
LEU E   6
GLY A 174
ALA A 173
GLY A 138
VAL E   5
1.47A11.76
0JU  E   7 ( 4.3A)
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.
5I1O_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA A 267
ASN A 221
LEU A 220
0.99A7.98
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.
5I1P_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA A 267
ASN A 221
LEU A 220
1.03A7.98
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.
3R0L_D_ACTD127_0
(PHOSPHOLIPASE A2 CB)		Acetic acid4 / 5
PHE A 140
ILE A 136
GLY A 149
HIS A 163
1.74A17.26
None
None
None
0JU  E   7 (-4.4A)
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		Abiraterone4 / 7
ALA F   4
GLY B 174
ALA B 173
THR B 135
1.11A4.95
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.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		S-Adenosylmethionine5 / 11
GLU A 166
ILE A 136
GLY A 138
GLY B   2
LEU A 167
1.15A22.36
0JU  E   7 (-3.8A)
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.37A23.59
None