PDB ID: 3vb7


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3vb7'

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.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A 280
GLY A 283
ASN A 214
ASP A 216
ILE B 286
1.46A20.32
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		Amprenavir5 / 9
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.49A3.90
0JU  E   5 ( 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.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU F   4
TYR B 161
THR B 135
LEU B 167
1.58A1.54
6.25
0JU  F   5 ( 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_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib5 / 12
ALA B 211
LEU B 253
GLY B   2
ASP B 295
PHE B 291
1.36A19.65
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ARG A 217
ILE A 213
ILE A 281
LEU A 282
GLY A   2
1.14A20.71
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.44A8.82
0JU  E   5 ( 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.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU F   4
HIS B 164
ASP B 187
LEU B  86
GLY B 146
1.77A4.69
0JU  F   5 ( 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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		Deoxycholic Acid4 / 5
ILE B 286
LEU B 287
ASP B 216
PHE B 219
1.57A22.41
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.43A8.82
0JU  E   5 ( 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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.35A16.43
EDO  B 402 (-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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.46A3.90
0JU  E   5 ( 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.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 8
LEU F   4
LEU B  27
ILE B  43
MET B  49
1.35A5.00
3.92
0JU  F   5 ( 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.
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
1.12A23.51
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.
3EL1_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.35A17.48
EDO  B 402 (-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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.42A1.79
None
None
GOL  B 403 (-4.5A)
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   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.44A8.82
0JU  E   5 ( 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.
2IEN_B_017B402_1
(PROTEASE)		Darunavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.32A18.02
EDO  B 402 (-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.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)		Acarbose3 / 3
ARG B 298
PHE B   8
PRO B   9
0.93A17.91
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		S-Adenosylmethionine5 / 12
ILE B 286
GLY A 283
SER A 284
ASP A 216
VAL B 171
1.25A18.23
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU F   4
LEU B  27
ILE B  43
MET B  49
1.36A4.88
2.97
0JU  F   5 ( 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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.46A8.82
0JU  E   5 ( 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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.36A17.67
EDO  B 402 (-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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 6
ASP A 289
ASN A 238
ASP A 197
GLU A 240
1.79A22.96
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.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.44A1.80
None
None
GOL  B 403 (-4.5A)
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir5 / 11
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.48A8.82
0JU  E   5 ( 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.
4J5J_B_478B401_1
(PROTEASE)		Amprenavir5 / 8
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.50A3.90
0JU  E   5 ( 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.
2IDW_B_017B401_2
(PROTEASE)		Darunavir5 / 9
ASP A 216
GLY A 215
ALA A 211
ILE A 259
ILE A 281
1.56A18.37
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.
6DH6_A_017A104_1
(PROTEASE)		Darunavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.32A16.96
EDO  B 402 (-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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG B 298
GLY B 302
SER A 147
0.39A18.36
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.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.32A21.17
EDO  B 402 (-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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.42A1.80
None
None
GOL  B 403 (-4.5A)
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.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)		Riboflavin6 / 12
PHE B 291
ALA B   7
GLY A 124
PHE B   3
ALA B 210
SER A 123
1.50A20.39
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.47A3.90
0JU  E   5 ( 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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
LYS E   2
VAL A  68
LEU A  89
GLY A  29
SER A 147
1.48A2.70
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A 280
GLY A 283
ASN A 214
ASP A 216
ILE B 286
1.46A20.32
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.45A1.79
None
None
GOL  B 403 (-4.5A)
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_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU E   4
ASP A 187
MET A  49
ARG A  40
1.59A5.00
3.92
0JU  E   5 ( 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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.45A3.90
0JU  E   5 ( 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.
5T8H_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.35A15.46
EDO  B 402 (-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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
ASN A 214
ARG A   4
GLU B 290
VAL B 171
HIS B 172
1.75A19.26
None
None
None
None
0JU  F   5 ( 4.7A)
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.
5T8H_B_478B401_1
(PROTEASE)		Amprenavir6 / 12
ASP A 216
GLY A 215
ALA A 211
VAL A 296
ILE A 259
ILE A 281
1.73A15.46
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.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR B 304
SER A 123
TYR A 118
1.77A18.94
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.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU E   4
MET A  82
LEU A  57
LEU A  87
PHE A 181
1.76A20.00
0JU  E   5 ( 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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.43A1.79
None
None
GOL  B 403 (-4.5A)
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.
2HS2_A_017A201_2
(PROTEASE)		Darunavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.31A15.97
EDO  B 402 (-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.
3NU6_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.48A3.90
0JU  E   5 ( 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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		Darunavir5 / 9
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.44A8.82
0JU  E   5 ( 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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.44A1.79
None
None
GOL  B 403 (-4.5A)
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA F   2
ALA B 193
GLY B 183
ALA B 173
1.14A2.88
None
None
EDO  B 401 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		Indinavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.33A15.62
EDO  B 402 (-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.
3D20_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.34A16.26
EDO  B 402 (-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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
LYS F   2
VAL B  68
LEU B  89
GLY B  29
SER B 147
1.54A2.70
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.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU E   4
MET A  82
LEU A  57
LEU A  87
PHE A 181
1.75A20.00
0JU  E   5 ( 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.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR B 304
SER A 123
TYR A 118
1.78A18.94
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.38A16.08
EDO  B 402 (-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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU F   4
LEU B  27
ILE B  43
MET B  49
1.37A5.00
3.92
0JU  F   5 ( 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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E   4
GLY A 174
ALA A 173
GLY A 138
VAL E   3
1.46A8.82
0JU  E   5 ( 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.
2R5P_B_MK1B902_2
(PROTEASE)		Indinavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.37A17.23
EDO  B 402 (-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.
2NNK_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
ARG B 298
GLY B   2
ASP B 216
ILE B 281
VAL B 296
1.39A14.29
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		Indinavir5 / 12
GLY B 195
ALA B 194
ASP B 197
GLY B 183
ALA F   2
1.40A17.13
GOL  B 403 (-3.5A)
GOL  B 403 (-4.2A)
None
EDO  B 401 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F   2
LEU B 167
PHE B 185
PHE B 181
THR B 190
1.45A1.79
None
None
GOL  B 403 (-4.5A)
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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		Indinavir5 / 12
ARG B 279
ASP B 216
GLY B 215
ALA B 211
ILE B 281
1.36A16.43
EDO  B 402 (-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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A 280
GLY A 283
ASN A 214
ASP A 216
ILE B 286
1.45A20.32
None