PDB ID: 2duc


Macromolecule:
REPLICASE POLYPROTEIN 1AB

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2duc'

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.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		S-Adenosylmethionine3 / 3
GLU A 166
SER B 301
VAL B 303
1.45A19.94
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.
2Y69_G_CHDG1085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
ARG A   4
PHE B 140
GLY A   2
GLY A 283
THR B 169
1.73A15.28
20.23
22.78
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.
4XIW_G_AZMG402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.40A19.60
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.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		Acetazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.44A21.90
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.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.43A19.60
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.
4M6T_A_SAMA201_0
(RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1)		S-Adenosylmethionine4 / 4
ILE A 136
VAL A 148
VAL A 114
ARG B   4
1.42A18.73
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		Bromocriptine5 / 12
PHE A   8
ARG A   4
SER B 139
THR A 292
ALA B 116
1.48A22.11
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.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid5 / 10
ALA B 116
SER B 144
LEU B 141
PHE B 112
HIS B 163
1.71A19.56
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		Abiraterone4 / 7
ALA B 194
SER B 139
GLY B 170
GLU B 166
1.07A19.78
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.
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.
5M35_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid4 / 5
PHE B 294
THR B 111
GLN B 127
ARG B 298
1.71A22.44
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.
4YHA_H_MZMH303_1
(ALPHA-CARBONIC
ANHYDRASE)		Methazolamide5 / 10
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.30A21.90
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.
4G7A_A_AZMA302_1
(CARBONATE
DEHYDRATASE)		Acetazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.43A20.68
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
GLY B 215
ASP B 216
ARG B 217
ILE B 259
THR B 257
1.62A22.91
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.
4G0C_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.40A22.92
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA B 173
TYR B 182
PHE B 140
LEU B 167
GLY B 149
VAL B 114
1.59A20.70
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.
5VSF_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.72A19.20
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		Vildagliptin5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.75A16.29
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
GLU A 290
THR A 175
ARG A 131
ARG B   4
GLY A 138
1.73A20.44
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.
4Y28_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 9
PHE B 140
ARG B 131
ALA B 129
GLY B 138
PHE A 150
1.73A17.04
8.64
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.
6NMF_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
GLY B 143
GLY B 146
GLN B  19
THR B  21
THR B  25
1.59A14.33
20.23
22.78
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.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
THR A 304
LEU B 141
GLY B 124
LEU B 115
1.24A21.75
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
ILE B 259
LEU B 268
PHE B 219
LEU B 220
LEU B 250
1.59A22.19
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B 106
PRO B 108
ASN B 133
ILE B 136
THR B 292
1.63A24.32
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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		Adenosine3 / 3
LEU B  67
SER B  65
ASN B  63
1.12A22.93
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.
5TUZ_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.73A19.20
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.
5TTG_B_SAMB1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 11
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.73A20.83
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.
4F92_B_SANB2201_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		Sulfanilamide5 / 9
HIS A 246
GLU A 240
TYR A 239
ASN A 203
GLY A 109
1.33A11.67
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.
3D91_B_REMB350_1
(RENIN)		Remikiren5 / 12
GLY A 215
SER A   1
LEU A 282
SER B 139
HIS B 172
1.48A22.29
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.
5TUZ_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.72A19.20
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.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine5 / 12
THR A 304
GLY A 302
PRO B 122
ASN B 142
PHE B 140
1.56A19.10
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin4 / 8
SER A 113
ILE B 152
VAL B 157
PHE B 150
1.17A14.94
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.
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
1.41A14.11
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.
1GTN_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 9
GLY B 170
ALA B 193
THR B 169
THR B 135
ALA B 194
1.77A13.71
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		Niflumic Acid4 / 6
LEU B 205
THR B 201
LEU B 227
ASP B 263
1.54A20.00
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.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		Acetazolamide5 / 12
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.32A21.90
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.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS B 163
SER B 123
ASN B 142
0.91A20.33
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid3 / 3
LEU B 141
TYR B 126
SER B 147
1.33A20.30
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.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 8
ALA B 129
ILE B 136
TYR B 161
HIS B 163
1.31A22.46
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.
3V5V_C_ACTC510_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
ARG A 131
THR A 198
ASP A 197
GLU A 240
1.65A22.49
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.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
THR B  25
ILE B  43
LEU B  67
ASN B 119
LEU B  89
1.55A21.32
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.
1OS6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.15A11.45
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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)		Rifampicin4 / 5
PHE B 150
LEU B 177
MET B  17
LEU B 141
1.64A18.81
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.
3ASN_G_CHDG229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG A   4
PHE B 140
GLY A   2
GLY A 283
THR B 169
1.71A14.33
20.23
22.78
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.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		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.
5VSF_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.73A19.20
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.
4E7C_B_ACTB502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
GLU A 240
ARG A 131
THR A 198
ASP A 197
1.65A22.49
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.
4PEV_A_ADNA501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		Adenosine5 / 12
ASP A 153
SER B 123
PHE A   8
GLY B 124
GLN A 299
1.70A22.80
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA B 173
TYR B 182
PHE B 140
LEU B 167
GLY B 149
VAL B 114
1.57A20.70
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
SER B 121
THR A 304
PHE A 305
GLY B 124
1.69A21.09
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.
6A60_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A   7
LEU B 115
ILE B 136
HIS B 172
LEU B 141
1.41A22.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_D_SALD1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 12
ILE B 136
GLY B 138
GLY B 170
LEU B 167
HIS B 163
1.23A21.94
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.
1Q23_F_FUAF704_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
PHE A   8
SER B 123
VAL A 297
PHE A 294
THR A 304
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.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Sapropterin4 / 7
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.80A21.33
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.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP B  48
ASP B 187
ASP B  56
0.97A23.03
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.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		Saquinavir5 / 9
ASN B 133
GLY B 138
ILE B 136
THR B 169
PRO B 168
1.73A17.06
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.
5EAJ_B_FOLB201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 295
ARG A 131
ARG B   4
0.80A18.39
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		Ribavirin5 / 11
LEU B  87
LEU B  67
THR B  26
THR B  25
GLY B  23
1.65A19.47
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.
6GNG_A_QPSA601_1
(-)		Acarbose5 / 12
GLY B 124
VAL A 303
ASP A 153
ASN A 151
GLN A 127
1.48A18.78
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.
5VSD_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.74A19.20
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 7
GLY B 124
SER B 123
PHE B 140
LEU B 141
1.24A22.48
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.
5V9J_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.71A20.83
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.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B 136
ALA B 173
ASN B 142
LEU B 141
TYR B 161
1.77A18.54
None
Potential target for repurposing, i.e. matched protein structure has less than 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
1.77A21.80
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.
4YGF_D_AZMD303_1
(ALPHA-CARBONIC
ANHYDRASE)		Acetazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.37A21.90
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.
5HW4_B_SAMB801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		S-Adenosylmethionine5 / 11
GLY B 146
CYH B 117
ALA B 116
PHE B 112
LEU B 141
1.38A23.60
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		Acetic acid4 / 5
SER B 144
GLY B 143
GLU B 166
PHE B 140
1.31A20.97
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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
SER B 121
THR A 304
PHE A 305
GLY B 124
1.66A21.09
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.
3D91_A_REMA350_1
(RENIN)		Remikiren5 / 12
GLY A 283
THR B 169
LEU A 282
SER B 139
HIS B 172
1.56A22.29
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.
2A3C_A_PNXA1435_1
(CHITINASE)		Pentoxifylline4 / 6
GLY B   2
PHE A 140
SER B   1
ARG B   4
1.70A21.53
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG B 298
ASN B 203
PRO B 293
ALA B 206
1.53A24.22
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 11
CYH B 300
LEU B 208
ILE B 281
SER A 139
LEU B 287
1.53A18.06
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.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Sapropterin4 / 7
SER B  10
ARG B 298
PHE B   8
GLU A  14
1.80A21.80
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.
5VSD_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.73A19.20
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.
3IAI_A_AZMA263_1
(CARBONIC ANHYDRASE 9)		Acetazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.49A19.43
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		Tamoxifen6 / 12
GLY B  23
VAL B  20
SER B  62
LEU B  67
LEU B  57
LEU B  89
1.49A20.86
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
GLY B 143
VAL A 303
LEU B  30
GLY B 146
SER B 147
1.24A23.13
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
VAL B 148
GLY B 149
GLY B 146
PHE B 140
SER B 123
1.12A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA B 173
TYR B 182
PHE B 140
LEU B 167
GLY B 149
VAL B 114
1.56A20.70
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin5 / 11
CYH A  44
GLU A  47
ALA A  46
THR A  24
HIS A  41
1.66A20.83
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		S-Adenosylmethionine5 / 12
GLY A   2
ALA A 210
ASP A 216
PHE B 140
SER B 139
1.46A20.23
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.
6E8Q_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole4 / 4
TYR B 161
LEU B  27
TYR B 118
PRO B  39
1.78A17.25
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.
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
1.38A21.29
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.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Diclofenac5 / 10
ALA B 116
CYH B 145
GLY B 143
HIS B 172
LYS A   1
1.63A16.77
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		Valaciclovir5 / 12
HIS B 163
GLU B 166
ALA B  46
HIS B 172
SER B 139
1.78A19.75
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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 5
LEU B  32
ILE B 136
MET B  17
GLY B  15
1.41A21.49
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		Diclofenac5 / 11
LEU B 115
VAL B 114
GLY B 138
LEU B 141
SER B 123
1.37A17.67
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.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 12
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.41A23.64
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.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
VAL A 303
LEU B 141
SER B 144
ILE A 152
LEU B 115
PHE B 140
1.74A22.49
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.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		S-Adenosylmethionine5 / 12
GLY B 124
PRO B 122
PHE A   8
ARG A   4
VAL B 125
1.41A20.32
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.
5TTG_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.75A20.83
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.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		S-Adenosylmethionine5 / 12
GLY B 124
PRO B 122
PHE A   8
ARG A   4
VAL B 125
1.42A20.32
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 295
ARG A 131
ARG B   4
1.05A19.46
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		Acetohydroxamic Acid3 / 3
HIS B 163
GLU B 166
HIS B 172
1.56A19.49
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.
2AVD_B_SAMB601_1
(CATECHOL-O-METHYLTRA
NSFERASE)		S-Adenosylmethionine3 / 3
SER B 113
GLU A  14
ASP B 155
0.88A21.78
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.
5V9I_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		S-Adenosylmethionine5 / 11
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.73A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 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_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
VAL B 148
LEU B 115
TYR B 126
GLY B 146
SER B 121
1.44A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A   7
LEU A 115
ALA A 116
ILE B 152
ARG B 298
1.62A18.39
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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
GLY B 124
SER B 121
THR A 304
PHE A 305
1.67A21.09
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		Donepezil5 / 11
TYR B 118
GLY A   2
SER B 139
HIS B 172
GLY B 170
1.58A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  56
ASN A  53
THR A  45
1.29A17.13
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.
5UO8_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Sapropterin4 / 6
SER B  10
ARG B 298
PHE B   8
GLU A  14
1.76A21.80
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.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
THR A 304
LEU B 141
GLY B 124
LEU B 115
1.22A21.75
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.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Telmisartan5 / 12
PHE B 181
HIS B 172
ILE B 136
LEU B 177
HIS B 163
1.60A21.74
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		Sitagliptin3 / 3
ARG B 298
TYR B 209
ASN B 214
1.34A17.90
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.
3MDZ_A_EZLA264_1
(CARBONIC ANHYDRASE 7)		Ethoxzolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.44A21.21
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.
1DFO_A_FFOA1002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
GLY B 149
SER B 113
SER B 121
PRO B 122
PHE A 305
0.71A20.94
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.
5JN8_D_AZMD701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 10
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.48A19.29
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		Adenosine5 / 12
GLY B 143
HIS B 163
GLU B 166
HIS B 172
SER B 139
1.67A22.08
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		Dopamine4 / 6
ARG A   4
ALA B 116
TYR B 161
SER B 144
1.70A20.73
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		Phenylacetic acid4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.35A19.96
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.
5TTF_C_SAMC1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		S-Adenosylmethionine5 / 12
GLY A   2
SER B 123
ASN B 142
TYR B 118
CYH B 145
1.74A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HKU_A_TORA300_1
(CARBONIC ANHYDRASE 2)		Topiramate5 / 12
ASN B 221
ALA B 267
GLN B 273
VAL B 233
THR B 225
1.44A23.24
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  56
ASN A  53
THR A  45
1.19A19.37
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.
2ZXW_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
GLY B 146
GLN B  19
THR B  21
THR B  25
GLY B 143
1.56A20.23
22.78
14.33
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.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)		S-Adenosylmethionine5 / 12
GLY B 124
TYR B 118
ALA B   7
ALA A   7
ARG A 298
1.69A21.78
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A 208
VAL A 212
ASN A 221
LEU A 220
ILE A 259
PHE A 223
1.78A20.68
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.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Sapropterin4 / 7
PHE B   8
GLU A  14
SER B  10
ARG B 298
1.78A23.31
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.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Icosapent5 / 12
PHE A 291
LEU B 141
GLY B 138
GLY A 283
LEU A 282
1.43A18.45
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A 118
SER A 139
ASP B 155
ILE B 152
1.50A20.24
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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine4 / 8
GLY B 138
MET A   6
SER B 139
ILE B 136
1.37A23.28
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.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Sildenafil5 / 12
PHE A 294
SER A 301
GLN A 127
PHE A   8
ILE A 152
1.62A21.84
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.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine6 / 12
GLY B 183
PRO B 184
PHE B 181
ASN B 133
ILE B 106
THR B 111
1.53A21.73
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.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 7
PHE A 305
ARG A 298
ASP A 153
ILE A 152
1.61A22.55
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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 12
VAL B 148
LEU B 115
TYR B 126
GLY B 146
SER B 121
1.45A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 5
PHE A   3
LEU B 141
PHE A 291
SER A 113
1.68A13.29
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE B 152
ARG B 298
PRO B 122
VAL B 125
1.22A20.48
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.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
PHE B   8
LEU B 141
GLY B 149
ILE B 152
ASN B 151
1.43A19.15
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.
4X5S_A_AZMA302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		Acetazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.44A21.65
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.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Acetic acid4 / 6
GLY B   2
GLU A 166
GLY A 138
ASN B 214
1.66A24.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Sertraline5 / 9
ALA A 210
ILE A 213
GLY A 302
SER A   1
GLY A   2
1.61A20.70
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		S-Adenosylmethionine5 / 12
GLY B 120
GLY B  29
ASP A 155
ASN B 119
VAL B  20
1.44A19.94
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
ARG A   4
PHE A   3
GLY A 302
ASP A 295
VAL A 296
1.74A21.29
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.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
VAL B 125
ALA B   7
PHE B 140
PHE B 150
GLY B 149
1.33A22.29
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.
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
1.36A20.13
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		Diflunisal4 / 6
LYS B 137
ALA B 129
SER B 113
THR B 111
1.43A19.12
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.
5LF3_K_BO2K305_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
LYS B 137
GLY B 109
ALA B 129
TYR B 239
ASP B 295
1.42A21.78
23.82
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.
4YHA_D_MZMD302_1
(ALPHA-CARBONIC
ANHYDRASE)		Methazolamide5 / 11
HIS B 172
GLU B 166
HIS B 163
VAL B 114
LEU B 141
1.40A21.90
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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
THR A 304
LEU B 141
GLY B 124
LEU B 115
1.24A21.75
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		Mannitol5 / 12
GLY A   2
PHE B 140
ALA B 116
VAL B 114
GLN A 299
1.18A19.64
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.
2ZZN_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
ARG A   4
PHE A   3
GLY A   2
VAL A 296
PHE A 291
1.53A19.15
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Nitrofural4 / 8
TYR B 118
ASN B 142
LYS A   1
GLY B 143
1.44A21.09
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS B 163
SER B 123
ASN B 142
0.93A19.87
None