PDB ID: 4ow0


Macromolecule:
PAPAIN-LIKE PROTEASE

Source Organism:
SARS-COV Urbani

Gene names:
-

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '4ow0'

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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
ALA A 177
LEU A 121
HIS A 276
LEU A 124
ALA A 120
1.39A23.36
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.
4MMC_A_29JA603_1
(TRANSPORTER)		Desvenlafaxine5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.66A22.20
None
None
None
DMS  B 903 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		Saquinavir5 / 12
ASP A  41
GLY A  33
GLY A  29
PRO A  47
ILE A  45
1.21A15.96
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		Darunavir4 / 6
ASP A  38
PRO A  47
THR A  27
VAL A  42
1.29A14.43
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.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 7
LEU B 124
MET B 170
THR B 171
LEU B 174
1.07A19.88
12.34
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.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
THR A  27
LEU A  37
VAL A  42
VAL A  22
1.46A21.44
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.
5OM7_A_DM2A501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 11
VAL A 301
GLN B 270
ASN B 268
LEU A 212
SER A 246
1.52A24.07
10.70
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.
5IY5_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.02A19.88
12.03
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.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		Pilocarpine4 / 6
PHE B  57
LEU B  88
ALA B 132
LEU B  81
1.22A21.83
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.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate5 / 12
LEU B 119
GLN B 122
LEU B 121
SER B 156
ILE B 152
1.60A22.03
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.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B 179
VAL B 203
SER B 241
HIS B 176
LEU B 133
1.72A23.05
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.
2EIN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.35A19.88
12.34
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.
6EBP_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 9
LEU A 133
SER A 156
PHE A  80
PHE A 148
ILE A 152
1.63A20.59
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.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A  17
HIS A  18
THR A  10
THR A  55
LEU A  65
1.70A21.46
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR B 232
ASP B 230
ALA B 231
1.45A21.94
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.
3L2V_A_RLTA397_1
(INTEGRASE)		Raltegravir4 / 7
ASP A  23
GLN A  30
TYR A  28
GLN A  20
1.61A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
THR A  11
TYR A  36
GLY A  82
LEU A  81
ALA A  69
1.52A22.12
None
None
DMS  B 903 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone6 / 10
PHE A 128
MET A 170
TYR A  84
LEU A 118
VAL A 117
LEU A 121
1.75A20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_A_ANWA601_0
(RHODOPSIN KINASE)		Amlexanox4 / 7
LEU A 151
ALA A 132
LEU A  81
ALA A  87
0.99A20.35
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.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		Posaconazole3 / 3
PRO A  47
LEU A  21
SER A  25
0.86A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		Camphor5 / 11
THR A 313
GLY A 220
THR A 232
VAL A 189
VAL A 188
1.30A21.68
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.
5G6S_F_RAUF400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
GLN A 233
GLY A 220
VAL A 185
LEU A 217
TYR A 208
1.78A21.78
GOL  A 904 (-2.4A)
None
None
None
GOL  A 904 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
PHE A 148
LEU A  88
SER A 115
VAL A 117
ILE A 152
1.70A19.20
None
None
OCS  A 112 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		Vitamin C4 / 5
GLY B 194
CYH B 193
LYS B 191
HIS B 192
1.75A19.23
None
ZN  B 901 (-2.7A)
None
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR B 171
LEU B 174
ASN B 178
TYR B 137
LEU B 121
1.69A21.12
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.
5ND4_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A  77
GLU A  78
ALA A  69
ARG A  66
LEU A  59
1.69A22.00
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.
2IWK_B_CUB1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH B 227
CYH B 193
HIS B 192
1.20A19.20
 ZN  B 901 (-2.7A)
ZN  B 901 (-2.7A)
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 8
LEU A 173
GLN A 175
VAL A 126
VAL A 203
LEU A 121
1.51A21.75
None
None
DMS  A 905 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid5 / 10
ALA B  87
PHE B  80
TYR B  73
PHE B  57
LEU B 151
1.71A22.46
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		Calcipotriol5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.32A19.29
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.
2QD5_B_CHDB1104_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
1.09A20.64
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.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 12
MET B 209
ALA B 247
TYR A 269
ASP B 165
GLY B 210
1.74A19.65
S88  A 902 ( 3.8A)
None
S88  B 902 (-3.6A)
S88  B 902 (-3.9A)
S88  A 902 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
ALA A 132
LEU A 133
LEU A 151
GLY A  82
LEU A  81
1.43A22.26
None
None
None
DMS  B 903 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA B  87
THR B  91
ALA B 150
GLY B 161
SER B 156
1.59A20.50
22.87
None
None
None
GOL  A 904 ( 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.
3U9F_N_CLMN221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
PHE A 148
TYR A 137
PHE A 305
VAL A 166
PHE A 128
1.67A21.65
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 6
THR B 169
VAL B 117
TYR B 113
HIS B 172
1.53A20.14
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
ALA A 140
LEU A 114
ILE A 105
LEU A 151
ALA A 150
1.42A23.36
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.
3UPR_C_1KXC277_2
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
PEP-V)		Abacavir3 / 3
ILE B 223
LEU B 186
VAL B 236
0.92A2.82
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA B 231
GLY B 228
CYH B 227
HIS B 192
1.78A19.23
None
None
ZN  B 901 (-2.7A)
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_A_CAMA423_0
(CYTOCHROME P450)		Camphor5 / 10
THR A 313
GLY A 220
THR A 232
VAL A 189
VAL A 188
1.27A21.68
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		Adenosine4 / 8
HIS A 176
ASN A 178
ALA A 132
HIS A  74
1.19A19.84
None
DMS  A 905 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		Cholic Acid4 / 8
HIS A 172
HIS B 172
PHE B 128
THR B 171
1.37A19.23
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.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A  88
ASN A  89
GLY A  39
VAL A  42
LEU A  81
1.66A22.49
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.
2FL5_F_RBFF204_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)		Riboflavin4 / 8
TYR B 113
ASN B 110
GLU B 162
VAL A 226
1.65A19.24
21.88
None
None
GOL  A 904 (-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.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		Zanamivir4 / 6
ASP B 287
ILE B 286
LEU B 119
GLU B 264
1.49A19.40
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.
6GNG_A_QPSA601_1
(-)		Acarbose5 / 12
THR A 201
GLY A 202
THR A 198
ASN A 178
GLN A 238
1.46A18.27
None
None
GOL  A 904 ( 3.4A)
DMS  A 905 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B 179
VAL B 203
SER B 241
HIS B 176
LEU B 133
1.71A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_A_CHDA702_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
ARG A  83
0.87A20.64
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.
6NMP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU B 124
MET B 170
THR B 171
LEU B 174
1.16A19.88
12.34
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.
3U9F_O_CLMO221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
PHE A 128
PHE A 148
TYR A 137
PHE A 305
VAL A 166
1.68A21.65
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide4 / 8
THR B 201
GLY B 202
ALA B 182
GLU A  78
1.15A17.75
DMS  B 903 ( 3.0A)
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		Benzyl Benzoate5 / 12
ILE B 152
LEU B 153
TRP B  94
VAL B 117
GLY B 164
1.40A21.43
None
None
None
None
S88  B 902 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JT4_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
GLY B 194
CYH B 193
LYS B 191
HIS B 192
1.75A19.58
None
ZN  B 901 (-2.7A)
None
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
GLY B  82
SER B  86
ALA B 154
ALA B  87
1.05A18.96
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.
3RV5_C_DXCC92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Deoxycholic Acid4 / 4
VAL A   8
PHE A  56
PHE A  57
VAL A  12
1.76A13.23
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.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU B  65
ALA B  69
LEU B  81
LEU B  59
LEU B  76
1.44A23.60
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		Darunavir4 / 7
GLY A  29
ASP A  23
VAL A  22
ILE A  45
1.19A14.10
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.
5JLI_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
GLY B 194
CYH B 193
LYS B 191
HIS B 192
1.75A19.23
None
ZN  B 901 (-2.7A)
None
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 133
GLN B 134
PHE B 148
SER B 156
LEU B 121
1.50A19.75
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		Testosterone4 / 6
TYR A 274
HIS A 276
PRO A 248
VAL A 301
1.68A21.41
S88  A 902 (-4.7A)
None
S88  B 902 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HC4_A_VDXA525_2
(VITAMIN D RECEPTOR)		Calcitriol4 / 7
LEU A 200
LEU A 186
ILE A 223
SER A 222
1.43A21.22
None
GOL  A 904 ( 4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.21A20.43
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.
1MXF_B_MTXB2278_1
(PTERIDINE REDUCTASE
2)		Methotrexate5 / 11
SER A  86
TYR A  84
LEU A 151
THR A  15
TYR A  72
1.63A20.54
DMS  B 903 (-2.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P33_D_MTXD354_1
(PTERIDINE REDUCTASE
1)		Methotrexate5 / 12
SER B  79
PHE B  80
LEU B 151
TYR B  84
TYR B  72
1.77A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
CYH B 227
VAL B 226
HIS B 192
CYH B 193
1.28A23.55
 ZN  B 901 (-2.7A)
None
ZN  B 901 ( 4.6A)
ZN  B 901 (-2.7A)
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin5 / 11
SER A 213
VAL A 301
LEU A 212
THR A 211
ALA A 250
1.61A21.30
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
LEU B 212
ALA B 262
LEU B 283
VAL B 301
TYR B 306
1.50A16.82
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 5
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.39A20.98
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Sorafenib5 / 12
ALA A  87
LEU B 200
THR A 159
PHE A  80
GLY B 202
1.64A22.06
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.
6F8C_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone5 / 8
ALA A 140
LEU A 153
SER A 115
LEU A 114
THR A 169
1.63A21.85
None
None
OCS  A 112 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
ARG A 141
LEU A 173
THR A  91
ARG A 139
1.29A20.32
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.
3BU1_A_HSMA301_1
(LIPOCALIN)		Histamine4 / 7
SER B 222
VAL B 188
ILE B 223
ASP B 230
1.35A17.78
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.
6EXI_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
LEU A 200
ASN B 110
LEU B 153
0.77A21.46
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.
6NMF_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU B 124
MET B 170
THR B 171
LEU B 174
1.06A19.88
12.34
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.
4MM7_A_29JA603_1
(TRANSPORTER)		Desvenlafaxine5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.67A22.35
None
None
None
DMS  B 903 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J26_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 133
LEU A 173
MET A 170
LEU A 174
LEU A 118
1.70A20.56
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		Ribavirin5 / 11
LEU B  88
LEU B 114
THR B 159
GLY B 161
ASP B 109
1.28A18.77
None
None
GOL  A 904 ( 4.2A)
GOL  A 904 ( 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.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 12
SER A 181
PHE A 242
GLU B 162
LEU A 186
THR B 159
1.69A14.61
DMS  A 905 ( 3.1A)
None
GOL  A 904 (-3.5A)
GOL  A 904 ( 4.2A)
GOL  A 904 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		Adenosine5 / 12
VAL A  58
PHE A  57
ASP A  13
ASN A  16
THR A  55
1.40A16.41
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		Ketoconazole5 / 12
TYR A 306
LEU A 212
LEU A 254
ILE A 223
GLY A 220
1.33A23.34
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		Acarbose4 / 7
TYR A 113
ASN A 157
HIS A 176
TYR A 155
1.70A19.74
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU B 121
GLN B 122
PHE B 128
LEU B 173
1.07A23.03
12.34
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.
2Q72_A_IXXA801_1
(TRANSPORTER)		Imipramine5 / 11
LEU B 173
GLN B 134
ILE B 152
ALA B 136
LEU B 118
1.57A21.64
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.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.06A19.88
12.34
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		Nicotinamide4 / 8
HIS B 176
ALA B 177
LYS B 127
GLU B 180
1.48A21.59
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.31A20.98
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.
1A29_A_TFPA154_1
(CALMODULIN)		Trifluoperazine5 / 10
ALA A 120
LEU A 121
MET A 170
LEU A 174
MET A 207
1.66A16.77
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
PHE B 148
LEU B  88
SER B 115
VAL B 117
ILE B 152
1.64A19.20
None
None
OCS  B 112 ( 4.6A)
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		Clonixin4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
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.
4X1K_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine5 / 12
VAL A 117
ALA A 136
LEU A 133
THR A 169
ALA A 150
1.40A21.96
21.84
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.
1NP1_A_HSMA303_1
(NITROPHORIN 1)		Histamine4 / 5
ASP A  77
GLU B 180
LEU B 174
LEU B 179
1.43A19.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
MET A 170
ASN A 178
GLN A 134
1.49A22.49
None
DMS  A 905 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAQ_A_2GMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Dihydroergotamine5 / 12
LEU B 173
ALA B 205
PHE B 242
LEU B 119
PHE B 305
1.69A20.38
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.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 133
LEU A 173
MET A 170
LEU A 174
LEU A 118
1.70A20.56
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.
2PO7_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
1.17A20.38
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.
5G6S_A_RAUA400_1
(IMINE REDUCTASE)		Rasagiline5 / 11
VAL A 185
LEU A 217
TYR A 208
GLN A 233
GLY A 220
1.72A21.78
None
None
GOL  A 904 ( 4.5A)
GOL  A 904 (-2.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_B_DESB128_1
(TRANSTHYRETIN)		Diethylstilbestrol5 / 11
LEU A 102
SER A 104
LYS A 293
LEU A 291
THR A 278
1.49A20.98
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE B  80
GLY B  82
ALA B  87
LEU B  88
VAL B  58
1.29A20.30
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.
1N4F_A_ASRA140_0
(LYSOZYME C)		Arsanilic acid3 / 3
ASN A  89
ALA A 150
ASN A 147
0.94A19.30
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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 152
GLY A 164
THR A 169
VAL A 166
ASN A 111
1.60A20.91
None
S88  A 902 (-3.3A)
None
None
OCS  A 112 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine5 / 12
GLY B 267
CYH B 271
GLY B 272
THR B 302
LEU B 212
1.47A19.37
None
None
None
S88  B 902 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 10
THR A 313
GLY A 220
THR A 232
VAL A 189
VAL A 188
1.24A21.25
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.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Risperidone5 / 12
SER A  86
TYR A  36
THR A 169
PHE A  80
LEU A  81
1.33A22.19
DMS  B 903 (-2.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJG_D_NCTD501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 6
PHE B 242
ASN B 178
ALA B 177
LEU B 121
1.36A21.09
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.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)		Progesterone5 / 12
LEU A 118
LEU A 119
ALA A 120
MET A 170
LEU A 173
1.58A20.48
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		Benzoic Acid4 / 6
GLY A 220
THR A 219
SER A 222
VAL A 221
1.39A22.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		Ouabain4 / 7
THR B 171
HIS B 172
TYR B 113
LEU B 114
1.64A18.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
ASN B 110
GLY B 164
THR B 169
ILE B 152
1.16A21.81
None
S88  B 902 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
LEU A  59
GLY A  33
SER A  79
LEU A  81
THR A  35
1.41A22.49
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.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib4 / 8
ILE B 277
TYR B 284
LEU B 283
PHE B 259
1.13A23.60
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		Novobiocin3 / 3
ASN B 178
PHE B 242
VAL B 126
1.36A23.10
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		Riboflavin4 / 8
GLN A 233
ASN A 187
ASN A 216
THR A 219
1.69A21.20
GOL  A 904 (-2.4A)
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper3 / 3
CYH B 227
CYH B 193
HIS B 192
1.18A21.07
 ZN  B 901 (-2.7A)
ZN  B 901 (-2.7A)
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		Acetic acid5 / 10
TYR A  84
ASN A 147
ALA A 150
ALA A  87
SER A  86
1.68A8.07
None
None
None
None
DMS  B 903 (-2.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
VAL B 203
PHE B 128
PHE B 148
LEU B 133
HIS B 172
1.45A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B 121
LEU B 124
VAL B 126
SER B 241
CYH B 261
1.56A20.89
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.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.35A20.35
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.
3OXC_A_ROCA401_2
(PROTEASE)		Saquinavir3 / 3
ARG B 184
LEU B 186
THR A 159
1.12A15.36
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
ALA A 262
ASP A 303
LEU A 212
LEU A 254
LEU A 283
1.48A22.05
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.
5GS4_A_ESTA603_2
(ESTROGEN RECEPTOR)		Estradiol4 / 6
LEU B 118
LEU B 153
PHE B 148
LEU B 173
1.21A21.91
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		Acarbose5 / 12
ASP B 165
ILE B 152
ASP B 303
PHE B 305
ALA B 262
1.69A15.95
S88  B 902 (-3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 8
LEU B 173
LEU B 174
LEU B 124
ALA B 120
PHE B 305
1.71A21.30
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 6
CYH B 227
VAL B 226
HIS B 192
CYH B 193
1.29A23.55
 ZN  B 901 (-2.7A)
None
ZN  B 901 ( 4.6A)
ZN  B 901 (-2.7A)
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		Acetic acid4 / 6
HIS A  18
GLU A  68
ASP A  13
PRO A  60
1.63A19.32
2.84
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
PHE B 305
THR B 302
VAL B 166
THR B 171
1.35A21.67
None
S88  B 902 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA606_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid4 / 5
GLU A 264
ASP A 287
HIS A 273
THR A 292
1.58A19.93
None
None
OCS  A 112 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 124
VAL B 126
VAL B 117
ASP A  77
MET B 170
1.40A20.52
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.
2DYR_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
LEU B 124
MET B 170
THR B 171
LEU B 174
1.03A19.88
12.34
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.
2LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		Niacin4 / 5
PHE A  32
PHE A  56
HIS A  51
VAL A  22
1.51A19.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Dasatinib4 / 8
VAL A 126
ALA A 177
GLU B  78
LEU A 174
1.26A22.37
DMS  A 905 ( 4.8A)
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.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper3 / 3
CYH B 227
CYH B 193
HIS B 192
1.21A21.07
 ZN  B 901 (-2.7A)
ZN  B 901 (-2.7A)
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
ALA B 130
ALA B 132
PHE B  80
HIS B 176
1.45A19.37
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.
3L4D_B_TPFB490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 9
TYR B  72
PHE B  80
TYR B  73
ALA B 154
ALA B 150
1.47A20.35
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.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		Colfosceril palmitate4 / 8
SER A  79
VAL B 206
MET B 244
SER B 246
1.00A20.35
20.10
20.25
20.13
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
LEU A 121
ALA A 140
ASP A 144
ILE A 105
VAL A 117
1.28A15.31
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.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		Diclofenac5 / 9
ALA A  69
PHE A  80
SER A  61
LEU A  59
VAL A  58
1.41A18.61
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.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid5 / 10
VAL B 221
VAL B 189
GLN B 195
ASN B 216
GLY B 220
1.65A22.12
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.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU B 174
ASP B 303
LEU B 133
HIS B 172
1.67A22.05
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		Valaciclovir5 / 12
LEU B 174
PHE B 242
ALA B 182
SER B 246
ASP B 303
1.45A20.61
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		Hydroxyurea4 / 8
HIS A 172
HIS B 172
LEU B 174
THR B 171
1.43A19.23
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.
1WG8_B_SAMB3141_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
HIS A 172
ASP A  77
ASN B 129
0.93A22.13
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Delavirdine5 / 11
LEU B 173
TYR B 137
PRO B 131
LEU B 133
TYR B 155
1.72A19.36
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		Paroxetine4 / 7
VAL A 188
ALA A 231
LEU A 186
ASP B 109
1.22A21.43
None
ZN  A 901 ( 4.7A)
GOL  A 904 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HWD_B_BO2B201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 12
HIS B  90
THR B 169
THR B 159
ALA B  87
GLY B 164
1.64A22.67
18.81
None
None
GOL  A 904 ( 4.2A)
None
S88  B 902 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 5
PHE B 128
LEU B 174
PHE B 148
SER B 116
1.31A12.93
None
None
None
OCS  B 112 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.41A19.88
12.34
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL A 126
VAL A 203
LEU A 121
LEU A 173
GLN A 175
1.42A21.75
DMS  A 905 ( 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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine3 / 3
ARG A 139
ASP A  38
ASN A  14
1.79A20.34
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU A 118
ALA A 132
VAL A 166
MET A 170
THR A 169
1.46A21.65
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
HIS B 192
VAL B 188
GLY B 194
ARG B 229
ALA B 231
1.54A21.05
 ZN  B 901 ( 4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS5_A_ASCA202_0
(CYTOCHROME C')		Vitamin C3 / 3
CYH A 190
LYS A 191
HIS A 192
1.57A19.93
 ZN  A 901 (-2.4A)
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.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		Diflunisal4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.34A21.33
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		Gabapentin4 / 8
TYR A  36
GLY A  29
THR A  43
VAL A  12
1.19A21.73
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.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR B 171
LEU B 174
ASN B 178
TYR B 137
LEU B 121
1.65A21.12
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B 243
LEU B 186
THR B 198
ARG A  83
ARG B 167
1.59A21.84
None
None
None
None
DMS  A 903 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_A_VDYA201_1
(CDL2.2)		Calcidiol5 / 12
LEU B  81
PHE B  80
LEU B 173
MET B 170
ALA B 136
1.44A18.75
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.
4A97_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
ILE B 152
TYR B 113
HIS B 273
VAL A 226
1.56A20.63
None
None
OCS  B 112 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ILQ_C_ACAC7_1
(INTERLEUKIN-8
PRECURSOR
INTERLEUKIN-8
RECEPTOR A)		Aminocaproic Acid4 / 6
HIS A  18
ASP A  62
ASP A  63
PRO A  60
1.68A13.19
3.85
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.
2PO5_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
1.20A20.38
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.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU B 174
ASP B 303
LEU B 133
HIS B 172
1.71A22.98
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.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.20A20.43
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
ASP A 287
ASP A 165
TYR A 274
THR A 169
1.18A21.97
None
S88  A 902 (-3.8A)
S88  A 902 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		Copper3 / 3
HIS A  51
HIS A  48
ILE A  45
1.60A21.20
21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A   5
ILE A   6
GLU A  52
PHE A  32
1.63A21.49
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.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol5 / 12
LEU B 121
LEU B 124
VAL B 126
SER B 241
CYH B 261
1.59A18.97
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.
1O86_A_LPRA702_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril4 / 4
SER A 246
VAL A 301
PHE A 305
VAL A 117
1.65A19.32
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.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		Levomefolic acid3 / 3
ASN A 147
ASP A  38
GLY A  39
0.82A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
ASN A  89
GLY A  39
ASP A  38
LEU A  59
TYR A  84
1.50A18.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
CYH B 190
HIS B 192
CYH B 227
GLY B 228
1.41A23.55
 ZN  B 901 (-2.8A)
ZN  B 901 ( 4.6A)
ZN  B 901 (-2.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine4 / 6
TYR B 208
TYR B 306
GLY B 220
ASP B 230
1.56A19.97
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.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 6
LEU A 212
ASP A 165
GLU A 264
ALA A 120
1.38A20.20
None
S88  A 902 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER A 240
LEU A 121
ALA A 177
LEU A 124
1.23A20.98
DMS  A 905 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		Amlexanox4 / 8
LEU A 151
ALA A 132
LEU A  81
ALA A  87
1.02A20.35
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.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH B 227
CYH B 193
HIS B 192
1.19A19.20
 ZN  B 901 (-2.7A)
ZN  B 901 (-2.7A)
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 120
ARG B 167
SER B 241
LEU B 179
TYR B 137
1.32A22.40
None
DMS  A 903 ( 3.5A)
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.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 8
PHE A 242
ALA A 120
PHE A 305
THR A 169
1.15A21.09
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
0.99A20.38
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		Glyburide3 / 3
LEU A  81
THR A  15
ASN A  16
1.17A12.39
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.
3U9F_M_CLMM221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE A 148
TYR A 137
PHE A 305
VAL A 166
PHE A 128
1.75A21.65
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Ciprofloxacin4 / 6
ARG B  66
SER B  61
GLY B  82
THR A 199
1.51A21.57
21.43
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
SER A 116
THR A 258
GLN A 255
ARG A 285
LEU A 283
1.58A22.17
OCS  A 112 ( 3.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVY_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA A  87
THR A  91
ALA A 150
GLY A 161
THR A 159
1.69A21.14
22.87
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.
5IEN_B_VDYB201_2
(CDL2.2)		Calcidiol5 / 12
LEU A  81
PHE A  80
LEU A 173
MET A 170
ALA A 136
1.39A18.75
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.
1Y0X_X_T44X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		Levothyroxine5 / 12
ALA B 136
ARG B 139
ILE B 105
MET B 170
PHE B 128
1.69A24.06
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.
5IEP_A_VDYA201_1
(CDL2.3B)		Calcidiol5 / 12
LEU A  76
LEU B 151
GLU B  71
ALA B  69
LEU B  81
1.34A19.93
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.
2YLD_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA B 231
GLY B 228
CYH B 227
HIS B 192
1.75A19.23
None
None
ZN  B 901 (-2.7A)
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU A  37
GLY A  29
VAL A  42
ALA A  40
THR A  10
1.53A20.52
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		Riboflavin4 / 5
VAL A  49
GLU A  52
VAL A   8
LYS A   7
1.66A22.10
24.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
SER A 241
VAL A 203
GLY A 202
ALA A 182
ASN A 263
1.31A21.79
DMS  A 905 (-3.1A)
None
None
DMS  A 905 ( 3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EUP_A_ASDA451_1
(CYTOCHROME P450ERYF)		4-Androstenedione5 / 8
ASN A 216
GLY A 220
THR A 219
GLU A 204
LEU A 200
1.76A21.12
None
None
None
GOL  A 904 ( 4.8A)
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		S-Adenosylmethionine3 / 3
GLY B 288
ASP B 287
ASN B 111
1.11A20.94
None
None
OCS  B 112 ( 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.
3MDZ_A_EZLA264_1
(CARBONIC ANHYDRASE 7)		Ethoxzolamide5 / 11
HIS A 172
HIS B 172
ALA B 177
LEU B 174
THR B 171
1.48A22.12
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.
1V8B_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLU A 204
GLU B 168
LEU B 163
1.22A20.54
GOL  A 904 ( 4.8A)
None
S88  B 902 ( 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.
4XT8_A_TMQA302_1
(RV2671)		Trimetrexate5 / 12
ASN A  14
GLY A  39
PHE A  57
TYR A  84
THR A  55
1.77A22.52
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		Colfosceril palmitate5 / 9
LEU A  81
HIS A  90
ALA A  87
GLU A 162
LEU B 200
1.57A22.83
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		Trifluoperazine3 / 3
GLU A  78
LEU A  76
ASP A  77
1.21A15.19
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.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.38A19.88
12.34
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin5 / 12
THR A 103
VAL A 126
ALA A 120
LEU A 119
LEU A 133
1.18A20.94
None
DMS  A 905 ( 4.8A)
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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU A  65
LEU A  81
THR A  35
GLN A  30
1.35A19.35
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		Etodolac4 / 8
ARG A 184
SER A 222
THR A 232
GLY A 210
1.11A19.29
None
None
None
S88  B 902 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		Adenosine5 / 9
LEU B 102
GLY B 101
ILE B 277
MET B 294
THR B 278
1.73A21.24
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.
1FBM_B_RTLB951_3
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 5
THR A 171
LEU A 174
LEU A 124
GLN A 123
1.43A11.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
1.07A20.00
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		Suvorexant4 / 5
ILE B 223
PRO B 224
HIS A 273
VAL A 160
1.80A17.79
None
None
OCS  A 112 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
PHE A 242
GLN A 122
LEU A 118
VAL A 117
LEU A 174
1.55A20.67
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		Acetic acid3 / 3
VAL A 188
ALA A 231
GLN A 233
1.28A21.52
None
ZN  A 901 ( 4.7A)
GOL  A 904 (-2.4A)
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP B 287
LEU B 260
HIS B 276
SER B 104
GLN B 256
1.52A22.22
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		Adenosine4 / 7
GLY A  33
GLY A  29
ASP A  41
LEU A  59
0.96A19.75
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU A  65
LEU A  81
THR A  35
GLN A  30
1.34A18.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
SER A 116
THR A 258
GLN A 255
ARG A 285
LEU A 283
1.50A22.00
OCS  A 112 ( 3.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		Tioguanine4 / 6
SER B 116
ASP B 165
TYR B 274
PRO B 300
1.70A19.82
OCS  B 112 ( 3.7A)
S88  B 902 (-3.9A)
S88  B 902 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		Histamine4 / 7
SER B 222
VAL B 188
ILE B 223
ASP B 230
1.41A20.45
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.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 120
VAL B 126
LYS B 127
LEU B 179
PHE B 242
1.69A18.73
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		Bezafibrate4 / 6
ALA B 247
ASP B 303
ALA B 262
LEU B 254
1.33A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OSV_A_CHCA202_1
(BILE ACID RECEPTOR)		Obeticholic acid5 / 12
ALA A 145
ARG A 141
PHE A 128
ILE A 152
TYR A  84
1.61A23.46
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR A   5
ILE A   6
GLU A  52
PHE A  32
1.58A21.49
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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 154
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.40A20.63
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.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		Ifenprodil5 / 12
THR A 103
LEU A 291
GLN A 123
THR A 282
GLU A 281
1.65A21.50
22.39
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.
3ASO_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 6
LEU B 124
MET B 170
THR B 171
LEU B 174
1.08A19.88
12.34
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.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin4 / 6
GLY A 267
ASP A 303
ILE A 277
ARG A 285
1.49A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		Levothyroxine5 / 11
LEU B 174
GLU B 308
ALA B 182
SER A  79
VAL B 126
1.46A20.98
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		Acetic acid3 / 3
SER A 104
GLY A 288
SER A 116
1.10A21.05
None
None
OCS  A 112 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 11
GLY B 164
GLU B 162
GLU A 204
ASP B 165
HIS B 172
1.63A21.88
S88  B 902 (-3.4A)
GOL  A 904 (-3.5A)
GOL  A 904 ( 4.8A)
S88  B 902 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 173
MET A 170
LEU A 174
HIS A 276
LEU A 118
1.79A23.29
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 10
ALA B  69
SER B  86
LEU B 151
ALA B 154
PHE B  57
1.58A22.53
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin5 / 12
THR B 103
VAL B 126
ALA B 120
LEU B 119
LEU B 133
1.15A20.94
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.
4Y03_B_SALB801_1
(PROTEIN POLYBROMO-1)		Salicylic acid4 / 5
LEU B 121
TYR B 137
ALA B 177
ASN B 178
1.71A15.19
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ARG B 167
ASN A 111
THR A 169
1.03A16.01
DMS  A 903 ( 3.5A)
OCS  A 112 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.10A23.03
12.34
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.38A21.12
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.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 154
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.37A21.33
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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		Thiamine4 / 8
LEU B 174
SER A 156
ASN A 157
THR A 171
1.40A21.75
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 121
ALA A 140
ASP A 144
ILE A 105
VAL A 117
1.28A15.64
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
SER A 115
LEU A 174
MET A 170
1.67A19.96
OCS  A 112 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU B 174
ASP A  77
MET B 244
LEU B 124
1.69A21.74
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		Vorinostat5 / 12
ALA A  69
HIS A 176
PHE A  80
LEU A  59
TYR A 155
1.63A18.08
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.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
LEU A 200
VAL A 221
LEU A 186
LEU A 235
MET A 245
1.60A20.95
18.87
None
None
GOL  A 904 ( 4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		Tacrine6 / 11
LEU B 133
PHE B 148
VAL B 206
LEU B 179
LEU B 173
MET B 244
1.67A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B82_B_AERB602_1
(CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1)		Abiraterone5 / 11
SER A 222
ILE A 223
GLY A 220
VAL A 188
VAL A 189
1.46A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM4_A_8PRA603_1
(TRANSPORTER)		Paroxetine5 / 12
TYR A  73
TYR A  84
GLY A  82
ASP A  13
THR A  11
1.44A22.35
None
None
DMS  B 903 (-4.0A)
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		Estradiol4 / 5
LEU A  81
LEU A  88
PHE A  80
LEU A 151
1.22A21.91
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		Nabumetone4 / 7
GLY B 164
TYR B 269
GLY A 210
THR A 211
1.22A21.20
S88  B 902 (-3.4A)
S88  B 902 ( 3.6A)
S88  B 902 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N4F_A_ASRA141_0
(LYSOZYME C)		Arsanilic acid4 / 6
ASN A 216
GLY A 220
THR A 232
SER A 222
1.76A19.30
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.
3EL5_B_1UNB201_1
(PROTEASE)		Nelfinavir5 / 10
LEU B 200
VAL B 236
ILE B 315
GLY B 220
THR B 198
1.54A14.66
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A  59
THR A  75
TYR A  73
HIS A 172
1.40A23.03
19.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid3 / 3
LEU A 151
PHE A 128
ILE A 152
1.01A1.68
21.38
21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir3 / 3
TYR B 208
LEU B 173
ARG B 167
1.08A20.62
None
None
DMS  A 903 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.05A23.03
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		Tioguanine4 / 8
GLY A  39
LEU A  81
TYR A  36
PHE A  57
1.17A18.33
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Acetic acid4 / 6
GLY A 288
ILE A 105
TRP A 107
SER A 115
1.43A20.92
None
None
OCS  A 112 ( 4.4A)
OCS  A 112 ( 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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		Minoxidil4 / 6
TYR B  84
ALA B 150
LEU B 151
ALA B 136
1.15A22.27
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		Flurbiprofen5 / 8
LEU A 121
ALA A 177
LEU A 124
SER A 240
THR A 309
1.42A21.33
None
None
None
DMS  A 905 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.38A19.88
12.34
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA B 150
SER B  86
GLY B  82
ALA B 154
1.29A20.48
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.
5TRQ_B_ACTB307_0
(WELO5)		Acetic acid3 / 3
GLU A  52
HIS A  51
VAL A   8
1.54A21.02
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.
2ZM7_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 10
MET B 209
ALA B 247
TYR A 269
ASP B 165
GLY B 210
1.76A19.65
S88  A 902 ( 3.8A)
None
S88  B 902 (-3.6A)
S88  B 902 (-3.9A)
S88  A 902 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B 121
LEU B 124
VAL B 126
SER B 241
CYH B 261
1.60A18.97
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.
2EIK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU B 124
PHE B 305
MET B 170
THR B 171
LEU B 174
1.44A19.88
12.34
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		Acarbose5 / 12
LEU A  81
LEU A  59
ALA A  69
GLU A  68
HIS A  18
1.22A18.97
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A  28
THR A  10
ALA A  40
GLY A  53
HIS A  51
1.42A24.28
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		Streptomycin4 / 6
ILE B 105
ASN B 111
GLU B 264
HIS B 276
1.44A18.58
None
OCS  B 112 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
THR B 159
SER B  86
VAL A 185
THR A 201
1.28A12.66
GOL  A 904 ( 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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE A  96
PRO A  97
GLY A 143
GLU A 135
ALA A 146
1.46A20.91
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE B  80
GLY B  82
ALA B  87
LEU B  88
VAL B  58
1.26A20.10
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.
4Y0Q_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine6 / 12
LEU B 119
LEU B 133
ILE B 152
LEU B 114
VAL B 126
LEU B 174
1.71A20.06
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
SER A  61
GLY A  29
THR A  27
GLN A  30
VAL A  58
1.50A22.54
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		Sitagliptin3 / 3
ARG A 141
TYR A 113
ASN A 263
1.21A17.08
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.
5XDX_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid4 / 7
LEU B 124
MET B 170
THR B 171
LEU B 174
1.07A19.88
12.34
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.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 6
LEU B 124
MET B 170
THR B 171
LEU B 174
1.05A19.88
12.34
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.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 174
THR B 169
ASP B 303
LEU B 121
MET B 244
1.62A20.54
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.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 5
PRO A 224
THR B 159
VAL B 160
LYS B 158
1.40A16.77
None
GOL  A 904 ( 4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor5 / 11
THR A 313
GLY A 220
THR A 232
VAL A 189
VAL A 188
1.30A21.67
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.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 4
ALA B 108
PRO B  97
LEU B 291
HIS B 290
1.01A20.64
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib5 / 12
VAL B 188
LYS B 196
THR B 198
GLY A 161
ASP A 109
1.35A23.08
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		Tolcapone4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.32A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		Acetohydroxamic Acid4 / 7
HIS A 172
HIS B 172
LEU B 174
THR B 171
1.43A18.93
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		Betamethasone4 / 6
LEU A 118
LEU A 133
THR A 169
VAL A 166
1.35A21.30
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.
4EM2_A_SALA501_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 5
TYR A 155
LEU A 151
TYR A  84
LEU A  81
1.29A20.83
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU A 186
SER B  86
VAL A 203
GLY A 202
1.16A20.64
GOL  A 904 ( 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.
3UCB_A_017A201_1
(PROTEASE)		Darunavir5 / 12
LEU A 124
ALA A 177
ASN A 129
ILE A 152
VAL A 126
1.25A17.26
None
None
None
None
DMS  A 905 ( 4.8A)
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.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE B 305
MET B 170
THR B 171
LEU B 174
1.10A19.88
12.03
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.
3ASN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 6
LEU B 124
MET B 170
THR B 171
LEU B 174
1.10A19.88
12.34
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.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 6
VAL A 126
LEU A 121
MET A 207
SER A 246
1.36A12.93
DMS  A 905 ( 4.8A)
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.
2J2P_E_SC2E1289_1
(FICOLIN-2)		Acetylcysteine4 / 6
ARG B 167
THR B 171
LYS A 158
ASP B 165
1.56A23.60
DMS  A 903 ( 3.5A)
None
DMS  A 903 (-2.2A)
S88  B 902 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_A_FUAA702_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 12
TYR A 155
PHE B  70
LEU B  76
ALA A 132
ALA A 130
1.51A21.65
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.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		Masoprocol4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.37A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 12
HIS B  90
THR B 169
THR B 159
ALA B  87
GLY B 164
1.63A22.98
18.81
None
None
GOL  A 904 ( 4.2A)
None
S88  B 902 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine4 / 8
SER A 181
GLU A 180
MET A 244
VAL A 206
1.56A20.18
DMS  A 905 ( 3.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 6
ILE B 152
TYR B 113
HIS B 273
VAL A 226
1.62A20.63
None
None
OCS  B 112 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		Abiraterone5 / 9
ILE A 223
ASP B 109
GLY B 161
THR A 198
VAL A 188
1.67A22.60
None
None
GOL  A 904 ( 3.8A)
GOL  A 904 ( 3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U14_A_0HKA2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		Tiotropium4 / 4
ASN A  14
LEU A  88
PHE A  56
TYR A  36
1.78A22.65
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.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		Camphor5 / 8
TYR B 208
LEU B 217
GLY B 220
THR B 232
VAL B 188
1.78A21.60
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.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 202
HIS B 172
GLN B 175
LEU A 179
THR A 171
1.39A20.37
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 11
MET B 209
ALA B 247
TYR A 269
ASP B 165
GLY B 210
1.77A19.65
S88  A 902 ( 3.8A)
None
S88  B 902 (-3.6A)
S88  B 902 (-3.9A)
S88  A 902 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		Riboflavin4 / 8
PRO A  97
ASN A 111
GLN A 122
ILE A 286
1.42A23.14
None
OCS  A 112 ( 4.0A)
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.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		Novobiocin5 / 11
SER A  79
GLU A  78
ASP A  77
ARG A  66
THR A  75
1.76A21.02
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.
3ASN_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.41A19.88
12.34
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		Mifepristone4 / 7
ASN B 178
GLU A  78
LEU A  76
TYR B 137
1.24A22.09
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.
5JSD_A_1GNA612_1
(PHIAB6 TAILSPIKE)		Glucosamine4 / 4
VAL B 188
THR B 198
GLU B 204
GLU A 162
1.38A19.39
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.
1P33_A_MTXA351_1
(PTERIDINE REDUCTASE
1)		Methotrexate5 / 12
SER B  79
PHE B  80
LEU B 151
TYR B  84
TYR B  72
1.78A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY5_A_ACTA600_0
(RIBONUCLEASE A)		Acetic acid4 / 4
HIS A 276
VAL A 301
ASN A 263
THR A 275
1.27A18.59
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		Adenosine3 / 3
THR A  75
ASN B 178
PHE B 128
1.00A19.81
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		Cetirizine5 / 9
ARG B  66
ALA B  69
ASP B  63
LEU B  65
LEU B  81
1.62A19.39
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		Gabapentin5 / 10
PHE A 259
GLY A 299
GLU A 251
THR A 302
ALA A 250
1.80A23.03
None
None
None
S88  A 902 (-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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
SER A 116
THR A 258
GLN A 255
ARG A 285
LEU A 283
1.50A22.00
OCS  A 112 ( 3.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
VAL B 203
PHE B 128
PHE B 148
LEU B 133
HIS B 172
1.43A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
LYS A 280
THR A 278
PHE A  96
ALA A 289
VAL A  99
1.58A21.05
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.
3ZS3_A_ACTA1224_0
(THAUMATIN-LIKE
PROTEIN)		Acetic acid4 / 5
SER B 156
GLU B 168
TYR B 113
ASP B 165
1.30A21.77
None
None
None
S88  B 902 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7W_B_MTXB301_1
(PTERIDINE REDUCTASE)		Methotrexate5 / 11
SER A  79
PHE A  80
LEU A 151
TYR A  84
LEU A 173
1.79A20.71
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Deoxycholic Acid5 / 8
PRO A 131
ALA A 132
ALA A 136
GLU A  71
THR A  15
1.52A20.29
21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		Fluconazole5 / 8
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.47A20.61
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.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.27A20.98
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		S-Adenosylmethionine3 / 3
SER B  86
GLU B 162
GLU B 168
1.30A21.43
None
GOL  A 904 (-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.
2QD4_B_CHDB927_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
ARG A  83
0.88A20.64
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.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU B 124
MET B 170
THR B 171
LEU B 174
1.05A19.88
12.34
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.
5JQ7_B_T0RB705_2
(ENVELOPE
GLYCOPROTEIN 2)		Toremifene4 / 7
LEU B 254
TYR B 297
THR B 275
LEU B 212
1.26A18.87
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.
5JRA_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 4
GLY B 194
CYH B 193
LYS B 191
HIS B 192
1.74A19.58
None
ZN  B 901 (-2.7A)
None
ZN  B 901 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_A_ASDA1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
TYR B 137
PHE B 128
LEU B 174
ALA B 177
1.28A21.30
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.
3KMO_A_EAAA214_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid5 / 9
VAL B 221
VAL B 189
GLN B 195
ASN B 216
GLY B 220
1.62A22.12
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A   5
ILE A   6
GLU A  52
PHE A  32
1.68A21.49
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.
5JQ7_B_T0RB705_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Toremifene5 / 7
VAL A 117
LEU A 118
ALA A 120
LEU A 173
LEU A 174
1.51A23.24
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.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU A 186
SER B  86
VAL A 203
GLY A 202
1.10A20.64
GOL  A 904 ( 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.
2EIJ_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU B 124
MET B 170
THR B 171
LEU B 174
1.09A19.88
12.34
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.
3ABL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU B 124
PHE B 305
MET B 170
THR B 171
LEU B 174
1.50A19.88
12.34
None