PDB ID: 5y3e


Macromolecule:
REPLICASE POLYPROTEIN 1A

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5y3e'

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.
3IIZ_A_SAMA1501_0
(BIOTIN SYNTHETASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLN A 238
SER A 240
ILE A 223
TYR A 214
LEU A 217
1.77A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 124
TYR A 137
ALA A 177
LEU A 179
ALA A 130
1.72A22.77
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.
2QD5_A_CHDA702_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
ARG A  83
0.98A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		Dichloroacetic Acid4 / 6
LEU A 254
TYR A 297
ARG A 285
ILE A 277
1.45A20.75
GOL  A 407 (-4.7A)
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.
4RJD_B_TFPB204_1
(CALMODULIN)		Trifluoperazine4 / 8
LEU A 163
GLY A 164
GLU A 162
GLU A 168
1.13A12.70
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG A 141
LEU A 173
ALA A 177
ASN A 178
TYR A 138
1.66A21.74
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN A  14
LEU A  81
PHE A  56
1.10A23.36
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.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU A 133
GLN A 134
PHE A 148
SER A 156
LEU A 121
1.51A19.82
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Nimesulide4 / 5
LEU A 235
ALA A 205
SER A 240
LYS A 218
1.57A18.48
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		Midazolam4 / 7
LEU A  88
ALA A 146
ILE A 152
LEU A 153
1.24A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.59A22.41
None
None
NA  A 405 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A 155
HIS A 172
LEU A 173
PHE A  80
LEU A  76
1.35A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
LEU A 121
GLN A 175
ARG A 184
GLY A 202
LEU A 179
1.62A22.17
None
None
NA  A 406 (-2.8A)
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 7
GLY A  82
LEU A 173
PHE A 128
ASP A  77
1.33A22.74
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.
4WG0_A_CHDA103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 8
LEU A 179
LEU A 174
GLU A 125
LEU A 124
1.12A3.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A  79
GLU A 162
ASP A 165
1.42A19.76
None
None
GOL  A 408 (-3.2A)
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.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A 311
ALA A 182
SER A 240
GLY A 202
TYR A 234
1.36A20.83
 NA  A 402 (-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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone4 / 6
ARG A  83
ALA A 154
LEU A 153
ALA A  87
1.74A17.49
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.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 146
LEU A 118
LEU A 173
TYR A  84
THR A  91
1.70A19.75
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.
2VH3_A_DAHA2_1
(RANASMURFIN)		Levodopa5 / 9
ALA A 136
ALA A 140
PHE A  96
ALA A 146
CYH A 149
1.72A15.12
 NA  A 405 ( 3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		Vorapaxar5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.45A20.16
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		Acetic acid4 / 6
TRP A  94
GLY A 161
ASP A 109
TYR A 113
1.72A18.95
20.61
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
MET A 244
ASN A 178
LEU A 179
LEU A 121
PHE A 305
1.56A18.81
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Methylergometrine5 / 11
THR A  91
LEU A 133
ALA A 146
VAL A 117
TYR A 113
1.52A19.66
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 118
LEU A 151
ALA A 136
LEU A  88
THR A 103
1.70A20.12
None
None
NA  A 405 ( 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.
5ZGH_A_PQNA840_1
(PSAA
PSAJ)		Phylloquinone5 / 11
GLY A  82
ALA A  87
LEU A  88
GLY A  39
ALA A 142
1.45A17.44
8.50
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.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Risperidone5 / 12
SER A 246
THR A 302
PHE A 305
LEU A 179
VAL A 206
1.55A22.63
None
GOL  A 408 (-3.6A)
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
THR A 103
VAL A 126
ALA A 120
LEU A 119
LEU A 133
ILE A 152
1.60A20.66
None
None
NA  A 403 ( 3.8A)
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.
3HAV_A_SRYA403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Streptomycin4 / 8
SER A 116
ASP A 165
CYH A 112
ASP A 287
1.60A19.88
 NA  A 403 (-3.9A)
GOL  A 408 (-3.2A)
GOL  A 409 (-2.9A)
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL A   8
VAL A  42
GLY A  39
THR A  35
VAL A  58
1.48A21.58
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.40A22.96
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		Colfosceril palmitate5 / 9
THR A 171
LEU A 174
GLU A 180
LEU A 200
GLU A 239
1.56A23.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_2
(CDL2.2)		Calcidiol5 / 12
LEU A  81
PHE A  80
LEU A 173
MET A 170
ALA A 136
1.48A20.88
None
None
None
None
NA  A 405 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 7
GLY A 202
ASN A 129
GLU A 180
GLN A 238
1.29A18.14
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		Sunitinib5 / 11
LEU A 151
THR A  75
TYR A  72
LEU A  81
ALA A 154
1.43A22.76
None
None
NA  A 405 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		Valaciclovir5 / 12
LEU A 174
PHE A 242
ALA A 182
SER A 246
ASP A 303
1.49A20.53
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.
1RMT_B_ADNB1502_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 7
PHE A  57
LEU A  81
THR A  35
TYR A  36
1.63A19.70
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		Edetic Acid5 / 11
THR A 266
GLY A 272
THR A 302
PRO A 249
ASP A 165
1.70A16.89
None
GOL  A 409 (-3.9A)
GOL  A 408 (-3.6A)
GOL  A 408 (-4.4A)
GOL  A 408 (-3.2A)
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		Adenosine5 / 11
GLN A 123
GLY A 101
ASP A 287
GLY A 288
THR A 103
1.50A22.99
None
None
None
NA  A 404 (-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.
2OMB_D_IPHD2002_0
(BENCE JONES KWR
PROTEIN -
IMMUNOGLOBULIN LIGHT
CHAIN)		Phenol4 / 7
TYR A  72
HIS A  74
PRO A 131
HIS A 176
1.56A20.06
 NA  A 405 (-4.9A)
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.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil6 / 12
TYR A 137
LEU A 174
LEU A 124
ALA A 145
PHE A 148
ILE A 105
1.71A23.18
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.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 7
ILE A 105
HIS A  90
LEU A 153
ALA A 150
1.44A6.94
7.82
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.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Moxifloxacin4 / 7
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.34A21.36
20.70
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.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 10
VAL A 117
LEU A 118
TYR A 113
LEU A 133
TYR A 137
1.59A18.87
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
GLN A 123
LEU A 260
PHE A 305
LEU A 121
VAL A 203
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 153
ALA A  87
ALA A 108
ILE A 105
1.29A21.70
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU A 102
ALA A 140
ARG A 141
LEU A 119
1.11A21.36
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		Vitamin A5 / 12
PHE A 305
LEU A 121
ALA A 120
TYR A 274
LEU A 212
1.36A18.46
None
None
NA  A 403 ( 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.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 7
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.13A24.49
None
None
NA  A 405 (-4.9A)
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.
6B4Y_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		Oxamniquine5 / 10
MET A 209
LEU A 212
ASP A 165
MET A 170
THR A 169
1.78A21.49
None
None
GOL  A 408 (-3.2A)
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.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 7
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.21A20.59
11.46
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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		Carbocisteine4 / 8
VAL A  99
HIS A 276
ILE A 286
ALA A 262
1.24A19.64
None
NA  A 403 (-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.
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
1.47A20.96
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.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 10
LEU A 260
ALA A 279
ILE A 286
GLY A 100
GLY A 101
1.29A14.19
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.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		Foscarnet4 / 7
ARG A 184
GLN A 238
VAL A 243
GLU A 308
1.57A20.91
 NA  A 406 (-2.8A)
None
NA  A 406 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.46A23.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU A 174
ASP A 303
LEU A 133
HIS A 172
1.74A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)		Niacin4 / 8
PHE A 148
LEU A 151
TYR A 155
PHE A 128
1.39A25.60
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ALA A 108
ALA A 146
ILE A 152
LEU A 153
GLY A 161
1.24A23.43
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.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 4
ALA A 108
PRO A  97
LEU A 291
HIS A 290
1.14A21.45
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE A  96
PRO A  97
GLY A 143
GLU A 135
ALA A 146
1.47A20.60
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.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
LEU A 118
ALA A 140
VAL A 117
LEU A 173
PHE A  96
1.56A21.18
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.
1EII_A_RTLA135_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A4 / 7
TYR A 252
GLN A 255
THR A 258
TYR A 306
1.71A19.48
GOL  A 407 (-4.6A)
None
GOL  A 407 (-3.6A)
GOL  A 407 (-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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
MET A 170
ASN A 178
GLN A 134
1.44A22.37
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 7
ASN A 147
PHE A 148
ALA A 145
THR A 103
1.20A21.86
 NA  A 405 (-3.8A)
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.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Chloramphenicol5 / 11
HIS A  74
HIS A 176
ALA A 132
GLU A 135
VAL A 126
1.70A19.76
None
None
NA  A 405 (-4.3A)
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_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A 128
TYR A 137
LEU A 179
ALA A 177
LEU A 118
1.71A18.52
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.
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
1.66A13.19
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.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.68A11.46
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Dasatinib4 / 8
VAL A 243
ALA A 205
GLU A 180
THR A 201
1.15A22.31
 NA  A 406 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide3 / 3
VAL A 126
SER A 241
LEU A 179
1.21A18.96
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.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin5 / 10
ALA A 130
PHE A 128
ALA A 177
LEU A 179
LEU A 174
1.46A18.71
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 7
VAL A 117
ILE A 105
GLY A  39
ALA A 150
0.93A23.46
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.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		Indinavir5 / 12
LEU A 260
ALA A 279
ILE A 286
GLY A 100
GLY A 101
1.33A15.96
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.
4IAR_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 7
THR A  91
VAL A 166
PHE A  96
ASP A 287
1.41A20.24
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.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU A 212
GLY A 272
GLY A 267
ASN A 268
THR A 302
1.64A23.23
None
GOL  A 409 (-3.9A)
None
None
GOL  A 408 (-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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Gatifloxacin4 / 7
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.37A21.36
20.70
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.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		Bosutinib3 / 3
LEU A  37
LEU A  81
ASN A  14
0.84A20.85
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		Etodolac5 / 12
GLU A 239
LEU A 217
LEU A 235
LEU A 186
ALA A 205
1.42A19.06
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.
5IEN_A_VDYA201_2
(CDL2.2)		Calcidiol5 / 12
ILE A 152
VAL A 203
GLY A 202
TYR A 137
LEU A 118
1.25A20.88
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor5 / 9
TYR A 208
LEU A 217
VAL A 221
GLY A 220
VAL A 188
1.64A21.44
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
ALA A 146
LEU A  88
THR A  91
GLY A  39
ASP A  38
1.39A22.19
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Vitamin C4 / 6
PHE A 242
LEU A 260
GLU A 125
SER A 241
1.78A21.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Levofloxacin4 / 6
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.34A21.36
20.70
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.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  87
SER A  86
GLY A  39
ALA A 132
TYR A 155
1.43A18.31
None
None
None
NA  A 405 (-4.3A)
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.
1ZP4_B_C2FB996_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 10
GLN A 134
SER A 156
GLN A 175
TYR A 137
LEU A 133
1.70A22.73
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.
1MZ9_D_VDYD1001_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
THR A 103
LEU A 102
LEU A 260
0.99A11.03
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.
2VCV_A_ASDA1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
TYR A 137
PHE A 128
LEU A 174
ALA A 177
1.33A21.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 303
ARG A 184
THR A 302
1.41A19.75
None
NA  A 406 (-2.8A)
GOL  A 408 (-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.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE A 152
ALA A 140
THR A  11
LEU A 151
LEU A  88
1.60A18.75
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine4 / 7
LEU A 217
TYR A 311
LEU A 186
TYR A 208
1.50A18.76
None
NA  A 402 (-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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		Melatonin5 / 12
LEU A 133
GLN A 134
VAL A 126
PHE A 128
VAL A 117
1.65A21.41
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		Losartan4 / 4
PHE A  96
LEU A 173
LEU A 153
VAL A 117
1.72A20.08
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 8
ASP A  13
PHE A   9
THR A  11
HIS A  18
1.52A21.73
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)		Mefloquine4 / 6
ASN A 216
VAL A 221
ASP A 215
TYR A 214
1.49A18.87
20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
ILE A 152
ASN A 147
LEU A  88
TYR A  73
ALA A 132
1.54A20.81
None
NA  A 405 (-3.8A)
None
None
NA  A 405 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		Etodolac4 / 8
LEU A 200
TYR A 208
LEU A 235
ILE A 223
1.43A19.06
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.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
LEU A 212
THR A 266
THR A 258
ARG A 285
1.28A20.79
None
None
GOL  A 407 (-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.
5X24_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA A 154
ASN A 147
LEU A 151
GLY A  39
LEU A  59
1.49A21.06
None
NA  A 405 (-3.8A)
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.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		Ritonavir5 / 12
LEU A 121
GLY A 288
ILE A 152
ALA A 150
THR A  91
1.45A20.28
None
NA  A 404 (-3.8A)
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Pentazocine5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.50A17.99
None
None
GOL  A 407 (-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.
4EJG_D_NCTD501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 6
PHE A 242
ASN A 178
ALA A 177
LEU A 121
1.33A21.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ROX_B_T44B128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
GLU A 308
ALA A 205
LEU A 179
THR A 201
1.44A21.25
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ASN A 147
TYR A  73
LEU A 133
PHE A  80
1.56A20.85
 NA  A 405 (-3.8A)
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
GLY A 101
ILE A 286
GLN A 122
LEU A 119
THR A 278
1.33A23.58
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.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Glyburide5 / 12
LEU A 217
TYR A 214
VAL A 221
ILE A 223
LEU A 200
1.72A21.26
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 235
GLY A 220
ASN A 187
LEU A 186
LEU A 200
1.35A20.77
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
VAL A 117
LEU A 118
TYR A 113
LEU A 133
TYR A 137
1.49A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine4 / 5
THR A 292
GLU A 264
THR A 266
HIS A 273
1.55A19.96
None
None
None
GOL  A 409 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 5
PRO A 249
ALA A 247
ASP A 287
ASP A 303
1.56A20.69
GOL  A 408 (-4.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib4 / 8
ILE A 277
TYR A 284
LEU A 283
PHE A 259
1.23A23.60
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		Cholic Acid4 / 8
MET A 245
LEU A 186
VAL A 221
GLY A 220
1.43A20.53
 NA  A 406 (-3.2A)
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.
4FGZ_B_CQAB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
SER A 104
GLU A 264
TYR A 265
GLY A 164
1.46A21.62
 NA  A 404 ( 3.9A)
None
GOL  A 408 (-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.
3EL5_B_1UNB201_1
(PROTEASE)		Nelfinavir5 / 10
LEU A 173
ALA A 120
VAL A 166
ILE A 105
THR A 169
1.57A14.66
None
NA  A 403 ( 3.8A)
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 10
LEU A 260
ALA A 279
ILE A 286
GLY A 100
GLY A 101
1.34A14.66
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.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		Histamine4 / 5
ASP A 165
SER A 116
VAL A 117
GLY A 164
1.77A20.50
GOL  A 408 (-3.2A)
NA  A 403 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 7
SER A 104
ILE A 286
LEU A 119
LEU A 118
1.52A22.15
 NA  A 404 ( 3.9A)
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
VAL A 301
ARG A 285
TYR A 297
GLU A 264
1.47A17.97
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		Vitamin A5 / 12
TYR A 155
LEU A 173
LEU A 114
THR A  91
PHE A  57
1.73A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRK_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine5 / 9
VAL A 117
PHE A 305
MET A 244
SER A 246
LEU A 173
1.70A13.53
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.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
ASP A  38
ASN A 147
PHE A   9
1.29A24.13
None
NA  A 405 (-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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		Suramin5 / 11
VAL A  42
LEU A  37
ILE A   6
LYS A   7
THR A  10
1.68A14.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		Niacin4 / 5
PHE A  32
PHE A  56
HIS A  51
VAL A  22
1.66A18.77
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
ALA A 262
LEU A 119
LEU A 254
GLY A 299
ASP A 287
1.34A21.37
None
None
GOL  A 407 (-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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		Nicotinamide4 / 8
HIS A 176
ALA A 177
LYS A 127
GLU A 180
1.43A20.61
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.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 5
THR A 159
VAL A 160
GLY A 161
LYS A 158
1.66A16.41
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		Benzoic Acid4 / 7
GLY A 202
SER A 240
LEU A 174
PHE A 242
1.49A19.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
ALA A 247
ARG A 167
LEU A 212
ASP A 165
1.40A18.71
None
None
None
GOL  A 408 (-3.2A)
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY A  29
GLY A  33
PHE A  32
THR A  11
VAL A  42
1.26A21.52
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.
6BCC_A_EZLA302_1
(CARBONIC ANHYDRASE 2)		Ethoxzolamide5 / 12
VAL A 206
PHE A 242
VAL A 126
LEU A 174
THR A 171
1.48A19.94
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 11
PHE A  32
ASN A  14
ASP A  38
LEU A  37
GLY A  39
1.68A19.94
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.
5HW4_A_SAMA801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		S-Adenosylmethionine5 / 12
ILE A 277
CYH A 261
ALA A 262
LEU A 254
GLU A 264
1.36A20.80
None
None
None
GOL  A 407 (-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.
3G2O_B_SAMB600_0
(PCZA361.24)		S-Adenosylmethionine5 / 12
ALA A  87
LEU A  81
LEU A 153
ASP A 109
GLY A  39
1.34A24.28
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.59A23.70
16.10
None
GOL  A 409 (-3.8A)
None
NA  A 404 (-2.9A)
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
TYR A  84
LEU A  88
LEU A 133
ALA A 136
TYR A 155
1.26A17.99
None
None
None
NA  A 405 ( 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.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine4 / 5
THR A 292
GLU A 264
THR A 266
HIS A 273
1.75A19.68
None
None
None
GOL  A 409 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		Benzoic Acid4 / 8
ASN A  14
PHE A  57
LEU A  17
TYR A  72
1.65A25.68
None
None
None
NA  A 405 (-4.9A)
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.
4Y03_B_SALB801_1
(PROTEIN POLYBROMO-1)		Salicylic acid4 / 5
LEU A 121
TYR A 137
ALA A 177
ASN A 178
1.66A15.67
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU A 174
ASP A 303
LEU A 133
HIS A 172
1.78A21.75
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.
5ZGB_A_PQNA840_1
(PSAA
PSAJ)		Phylloquinone5 / 11
GLY A  82
ALA A  87
LEU A  88
GLY A  39
ALA A 142
1.42A17.44
8.50
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.53A21.28
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		Metyrapone4 / 6
VAL A 301
LEU A 283
ILE A 277
ALA A 262
1.16A22.74
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A  84
GLY A  39
GLY A  82
SER A  86
LEU A  59
1.75A22.77
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.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.68A11.46
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.
4ZJO_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 11
SER A 213
THR A 211
ALA A 205
THR A 219
GLY A 220
1.56A15.37
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.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU A 114
VAL A 117
LEU A 121
0.66A11.03
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A 133
LEU A  81
GLY A  39
ASP A  38
LEU A  88
1.54A21.29
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 12
LEU A 119
GLY A 100
GLY A 101
ILE A 277
LEU A 291
1.39A22.37
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 6
THR A 169
VAL A 117
TYR A 113
HIS A 172
1.63A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		Lopinavir4 / 6
ARG A 167
ASP A 287
PRO A 249
THR A 302
1.38A14.43
None
None
GOL  A 408 (-4.4A)
GOL  A 408 (-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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 7
LEU A 283
THR A 278
HIS A 276
GLY A 101
1.45A19.83
None
None
NA  A 403 (-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.
4X20_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER A 222
ALA A 231
VAL A 189
0.95A21.85
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine4 / 6
LEU A 114
LEU A 153
LEU A 133
LEU A 151
1.53A16.35
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Indomethacin4 / 7
ASN A  14
GLU A 135
TYR A 138
TYR A  72
1.56A24.65
None
None
None
NA  A 405 (-4.9A)
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Galantamine4 / 7
GLN A 238
TYR A 214
TYR A 311
ILE A 315
1.53A22.08
None
None
NA  A 402 (-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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.63A21.79
16.10
None
GOL  A 409 (-3.8A)
None
NA  A 404 (-2.9A)
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.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
VAL A 243
PHE A 242
PHE A 128
LEU A 179
VAL A 206
1.54A18.51
 NA  A 406 ( 4.1A)
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.
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
1.35A21.85
21.70
None
NA  A 405 ( 3.8A)
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
LEU A 200
LEU A 217
ILE A 223
GLU A 204
1.57A10.17
15.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)		Thioridazine4 / 8
HIS A 290
ASP A 287
SER A 104
PRO A  97
1.80A13.37
None
None
NA  A 404 ( 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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 153
ALA A  87
ALA A 108
ILE A 105
1.25A21.70
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU A 151
LEU A 153
SER A 156
LEU A 173
1.60A20.18
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.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		S-Adenosylmethionine3 / 3
ASP A 109
PHE A  96
ASN A  89
1.35A20.60
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 10
SER A 115
SER A 104
ILE A 286
GLY A 100
GLY A 143
1.46A21.46
 NA  A 404 (-2.9A)
NA  A 404 ( 3.9A)
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
VAL A 126
LEU A 124
ALA A 136
ALA A 177
LEU A 179
1.46A19.90
None
None
NA  A 405 ( 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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Acetic acid4 / 6
GLY A 288
ILE A 105
TRP A 107
SER A 115
1.46A21.01
 NA  A 404 (-3.8A)
None
GOL  A 409 (-4.1A)
NA  A 404 (-2.9A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		Tamibarotene5 / 12
PHE A  32
LEU A  37
VAL A  42
THR A   5
GLY A  53
1.46A16.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.46A22.09
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		Novobiocin3 / 3
ASN A 178
PHE A 242
VAL A 126
1.46A20.97
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
LEU A 121
HIS A 276
LEU A 124
ALA A 120
PHE A 305
1.38A22.97
None
NA  A 403 (-3.8A)
None
NA  A 403 ( 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.
1LIN_A_TFPA154_1
(CALMODULIN)		Trifluoperazine4 / 7
LEU A 121
MET A 170
LEU A 174
MET A 244
1.49A18.57
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
LEU A 151
THR A 159
TYR A  84
ALA A  69
LEU A  81
1.69A21.00
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.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A  79
GLU A 162
ASP A 165
1.39A21.22
None
None
GOL  A 408 (-3.2A)
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.
4A97_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU A 180
HIS A 172
VAL A 117
PHE A 128
1.65A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
ALA A 146
LYS A  93
LEU A  88
THR A  91
GLY A  39
1.40A22.74
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Bosutinib5 / 12
GLY A  39
GLY A  82
LEU A  81
ALA A  69
ASP A  13
1.38A21.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		Vitamin A3 / 3
PHE A 148
THR A  75
LEU A 173
1.11A18.75
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		Adenosine5 / 11
GLY A 220
ILE A 223
LEU A 186
ASP A 230
ASN A 216
1.57A20.96
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		Adenosine5 / 12
GLN A 175
GLY A 202
ALA A 205
LEU A 179
ALA A 177
1.47A22.89
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLU A 168
VAL A 166
ALA A 154
PHE A 148
PHE A 128
1.44A19.50
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		Dolutegravir4 / 8
ASP A 215
GLY A 220
TYR A 208
ARG A 184
1.44A21.62
None
None
None
NA  A 406 (-2.8A)
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.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)		Tretinoin5 / 12
ALA A 136
LEU A 151
ALA A 150
THR A  91
GLN A  98
1.33A21.49
 NA  A 405 ( 3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B6I_A_ADNA302_1
(FLUORINASE)		Adenosine4 / 7
THR A 266
TYR A 265
PRO A 300
THR A 302
1.63A21.56
None
GOL  A 408 (-4.0A)
None
GOL  A 408 (-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.
1SQ5_B_PAUB6003_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 10
LEU A 217
LYS A 218
GLY A 220
TYR A 311
ILE A 315
1.68A22.93
None
None
None
NA  A 402 (-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.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		S-Adenosylmethionine5 / 12
GLN A 238
SER A 240
LEU A 179
ILE A 223
TYR A 214
1.41A19.73
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.
2WV2_A_TPFA1_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole5 / 9
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.76A19.67
 NA  A 405 (-4.9A)
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		Vitamin A5 / 11
LEU A 200
ALA A 262
MET A 245
LEU A 217
GLN A 238
1.72A21.20
None
None
NA  A 406 (-3.2A)
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
PRO A  47
GLY A  33
GLY A  29
PHE A  56
LEU A  37
1.55A19.33
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A  84
SER A  86
ALA A  87
THR A  91
1.60A20.50
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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA A 154
SER A 156
GLU A 168
LEU A 173
TYR A 274
1.46A18.13
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A 311
ALA A 182
SER A 240
GLY A 202
TYR A 234
1.37A20.83
 NA  A 402 (-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.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		Tetracycline4 / 7
THR A 302
ASP A 303
SER A 116
LEU A 163
1.41A7.67
19.84
GOL  A 408 (-3.6A)
None
NA  A 403 (-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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		Erlotinib6 / 12
PHE A  57
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.29A21.46
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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
SER A  86
GLY A  82
LEU A  81
GLY A  39
TYR A  73
1.48A19.69
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		Raltitrexed3 / 3
HIS A  48
ILE A  45
LEU A  37
1.22A21.19
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		Fludrocortisone5 / 12
LEU A 119
GLN A 122
ALA A 279
LEU A 283
PHE A 259
1.46A20.29
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.
1NBH_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.13A24.49
None
None
NA  A 405 (-4.9A)
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.
3ZMD_A_SALA201_1
(PUTATIVE
TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
LEU A 235
ARG A 184
MET A 245
TYR A 306
1.66A18.58
None
NA  A 406 (-2.8A)
NA  A 406 (-3.2A)
GOL  A 407 (-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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		Eribulin5 / 11
VAL A 301
THR A 266
TYR A 252
TYR A 297
LEU A 254
1.66A21.70
None
None
GOL  A 407 (-4.6A)
None
GOL  A 407 (-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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.61A21.79
16.10
None
GOL  A 409 (-3.8A)
None
NA  A 404 (-2.9A)
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
LEU A  81
LEU A 151
LEU A  88
GLY A  39
1.33A15.72
10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 8
ASN A 147
PHE A 148
ALA A 145
THR A 103
1.17A21.86
 NA  A 405 (-3.8A)
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
LEU A 260
CYH A 261
GLN A 122
GLY A 101
LEU A 102
1.54A23.10
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.
4X1Y_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER A 222
ALA A 231
VAL A 189
1.00A21.85
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 11
ASN A 263
LEU A 121
VAL A 126
LEU A 174
PHE A 242
1.39A18.81
 NA  A 403 (-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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 303
ARG A 184
THR A 302
1.43A19.75
None
NA  A 406 (-2.8A)
GOL  A 408 (-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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate6 / 12
LEU A 151
ALA A 146
LEU A 118
PHE A 148
ALA A 136
THR A  91
1.79A20.12
None
None
None
None
NA  A 405 ( 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.
2QD5_B_CHDB1104_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
1.22A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		Trimetrexate5 / 12
VAL A 185
ALA A 205
ILE A 223
PRO A 224
THR A 201
1.51A20.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_B_DESB128_1
(TRANSTHYRETIN)		Diethylstilbestrol5 / 11
LEU A 102
SER A 104
LYS A 293
LEU A 291
THR A 278
1.49A21.25
None
NA  A 404 ( 3.9A)
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 153
ALA A  87
ALA A 108
ILE A 105
1.29A21.70
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 10
VAL A 206
PHE A 148
TYR A 137
VAL A 126
LEU A 174
1.52A18.94
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
VAL A 185
ALA A 205
ILE A 223
PRO A 224
THR A 201
1.56A20.78
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		Ampicillin4 / 8
TYR A 297
ARG A 285
GLU A 264
SER A 116
1.60A18.99
None
None
None
NA  A 403 (-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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		Pilocarpine5 / 11
PHE A 305
PHE A 242
VAL A 126
THR A 169
LEU A 121
1.36A22.56
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.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		Vitamin C4 / 7
HIS A  51
ILE A   6
VAL A  22
TYR A  28
1.70A23.12
21.08
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.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  32
TYR A  28
LEU A  21
ILE A   6
LEU A  37
1.62A18.52
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.
5VDH_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin6 / 12
THR A 103
VAL A 126
ALA A 120
LEU A 119
LEU A 133
ILE A 152
1.77A20.51
None
None
NA  A 403 ( 3.8A)
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 12
GLN A 134
GLN A 175
LEU A 174
TYR A 137
LEU A 133
1.48A22.73
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PHE A 305
LEU A 102
GLY A 164
MET A 170
THR A 169
1.56A20.93
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.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		S-Adenosylmethionine5 / 12
GLN A 238
SER A 240
LEU A 179
ILE A 223
TYR A 214
1.42A19.73
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.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  32
TYR A  28
LEU A  21
ILE A   6
LEU A  37
1.55A20.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.68A20.84
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.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Icosapent5 / 12
PHE A  80
LEU A 114
TYR A 274
SER A 156
LEU A 173
1.42A18.94
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.
4MM4_B_8PRB603_1
(TRANSPORTER)		Paroxetine5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.51A22.41
None
None
NA  A 405 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)		Thioridazine4 / 8
HIS A 290
ASP A 287
SER A 104
PRO A  97
1.80A13.37
None
None
NA  A 404 ( 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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.63A21.79
16.10
None
GOL  A 409 (-3.8A)
None
NA  A 404 (-2.9A)
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.
5IEN_B_VDYB201_1
(CDL2.2)		Calcidiol5 / 10
MET A 207
LEU A 124
ILE A 152
LEU A 133
LEU A 119
1.49A20.88
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
LEU A  81
1.23A20.53
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.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 8
ASN A 147
PHE A 148
ALA A 145
THR A 103
1.11A21.86
 NA  A 405 (-3.8A)
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		Bezafibrate4 / 6
ALA A 247
ASP A 303
ALA A 262
LEU A 254
1.41A19.94
None
None
None
GOL  A 407 (-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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin3 / 3
LYS A  92
LEU A  88
ALA A 146
1.22A21.25
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.46A23.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Doxycycline4 / 6
SER A  79
PHE A  80
ASP A  77
HIS A 172
1.62A23.82
11.48
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU A 200
LEU A 217
ILE A 223
GLU A 204
1.51A9.49
18.43
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.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)		Alitretinoin5 / 12
ILE A 152
CYH A 149
ALA A 150
LEU A 133
ALA A 132
1.47A21.79
None
None
None
None
NA  A 405 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 12
GLY A 288
ASN A 263
CYH A 261
THR A 278
LEU A 102
1.80A19.10
 NA  A 404 (-3.8A)
NA  A 403 (-2.6A)
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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
TRP A  94
THR A 159
LEU A 163
LEU A 114
1.37A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		S-Adenosylmethionine5 / 12
GLU A 168
VAL A 166
ALA A 154
PHE A 148
PHE A 128
1.41A19.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Moxifloxacin4 / 7
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.34A21.36
20.70
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 118
LEU A 151
ALA A 136
LEU A  88
THR A 103
1.71A20.18
None
None
NA  A 405 ( 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.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.45A22.66
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.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 8
ILE A 105
PHE A 148
LEU A 151
ALA A 150
LEU A  88
1.78A24.65
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib5 / 12
ALA A 146
LYS A  93
LEU A  88
THR A  91
GLY A  39
1.39A22.48
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL A   8
VAL A  42
GLY A  39
THR A  35
VAL A  58
1.52A21.58
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.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU A 174
ASP A 303
LEU A 133
HIS A 172
1.78A23.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		Benzoic Acid3 / 3
SER A 156
VAL A 117
LEU A 114
1.34A21.74
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP A 303
GLY A 272
PRO A 300
VAL A 301
1.64A15.36
None
GOL  A 409 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFM_B_TOPB1290_1
(PTERIDINE REDUCTASE
1)		Trimethoprim5 / 9
LEU A 114
TYR A 113
TYR A 274
LEU A 121
LEU A 173
1.76A22.29
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		Riluzole5 / 10
ALA A 120
LEU A 121
LEU A 173
MET A 170
ILE A 152
1.53A16.62
18.93
 NA  A 403 ( 3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_D_SNLD4001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A 119
MET A 170
CYH A 149
THR A  91
1.50A19.88
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.
1RV7_B_AB1B1001_1
(PROTEASE)		Lopinavir5 / 11
ALA A 120
THR A 302
VAL A 166
LEU A 102
VAL A  99
1.30A14.43
 NA  A 403 ( 3.8A)
GOL  A 408 (-3.6A)
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.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib5 / 12
LEU A 151
THR A  75
TYR A  72
LEU A  81
SER A  79
1.45A22.32
None
None
NA  A 405 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		S-Adenosylmethionine4 / 7
ASP A 303
PHE A 305
ASN A 263
ARG A 167
1.71A22.64
None
None
NA  A 403 (-2.6A)
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.40A22.73
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine5 / 12
TYR A 311
LEU A 186
TYR A 306
GLU A 308
MET A 245
1.57A18.70
 NA  A 402 (-4.8A)
None
GOL  A 407 (-4.8A)
None
NA  A 406 (-3.2A)
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.
5O96_E_SAME501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
HIS A  51
PRO A  47
GLY A  53
VAL A  22
LEU A  21
1.44A22.19
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.
1SQN_A_NDRA1001_0
(PROGESTERONE
RECEPTOR)		Norethisterone5 / 12
LEU A 173
LEU A 121
GLN A 123
LEU A 114
MET A 244
1.79A21.28
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.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		Tolcapone4 / 7
LYS A 293
LEU A 291
THR A 282
THR A 278
1.16A19.44
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.
1KIA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.14A24.49
None
None
NA  A 405 (-4.9A)
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.
3T3C_A_017A201_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ALA A  40
ASP A  38
GLY A  82
PRO A  34
VAL A  42
1.42A14.10
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 114
TYR A 274
ALA A 120
SER A 115
LEU A 121
1.76A22.77
None
None
NA  A 403 ( 3.8A)
NA  A 404 (-2.9A)
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine4 / 7
PHE A 148
ASP A 144
THR A 103
ILE A 105
1.26A19.82
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.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE A  57
ALA A  87
LEU A  88
GLY A  39
ALA A 142
1.40A17.52
8.12
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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE A 305
LEU A 174
VAL A 206
MET A 207
1.35A18.71
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.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		Tetracycline5 / 12
VAL A 304
TYR A 306
TYR A 214
TYR A 252
TYR A 208
1.78A22.81
None
GOL  A 407 (-4.8A)
None
GOL  A 407 (-4.6A)
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 8
ASN A 263
ALA A 262
LEU A 254
TYR A 252
1.32A20.32
 NA  A 403 (-2.6A)
None
GOL  A 407 (-4.7A)
GOL  A 407 (-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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Gatifloxacin4 / 7
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.36A21.36
20.70
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 12
ASN A 263
LEU A 121
VAL A 126
LEU A 174
PHE A 242
1.39A18.81
 NA  A 403 (-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.
4MMF_A_29QA603_1
(TRANSPORTER)		Mazindol5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.58A22.30
None
None
None
NA  A 405 (-4.9A)
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		Iloprost5 / 12
LEU A 121
CYH A 149
HIS A  90
VAL A 117
ILE A 105
1.65A19.94
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.
1ERR_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU A 118
LEU A 153
LEU A 133
LEU A 163
1.11A21.75
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU A 124
LEU A 102
PHE A 305
0.96A21.32
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib6 / 12
LEU A 254
VAL A 301
ALA A 262
ILE A 105
PHE A 259
ASP A 287
1.52A23.46
GOL  A 407 (-4.7A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IGX_A_EPAA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Icosapent4 / 8
VAL A  99
TYR A 274
ILE A 277
LEU A 119
1.19A18.94
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 109
ASN A 111
THR A 169
1.09A16.34
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
PHE A 148
LEU A  88
SER A 115
VAL A 117
ILE A 152
1.66A18.44
None
None
NA  A 404 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_A_DAHA305_1
(TYROSINASE)		Levodopa4 / 7
HIS A 176
HIS A  74
ASN A 129
ALA A 132
1.65A20.00
None
None
None
NA  A 405 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		Minoxidil4 / 6
TYR A  84
ALA A 150
LEU A 151
ALA A 136
1.13A23.32
None
None
None
NA  A 405 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
GLY A 164
SER A 156
THR A  91
LEU A 114
GLY A 161
1.61A22.37
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.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU A 174
LEU A 179
GLY A 202
LEU A 200
VAL A 243
1.64A21.08
None
None
None
None
NA  A 406 ( 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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU A  65
LEU A  81
THR A  35
GLN A  30
1.49A18.52
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.
3VYW_D_SAMD401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A 155
HIS A 172
LEU A 173
PHE A  80
LEU A  76
1.42A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  87
SER A  86
GLY A  39
ALA A 132
TYR A 155
1.46A18.31
None
None
None
NA  A 405 (-4.3A)
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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 152
ALA A 150
PHE A 148
GLN A 122
TYR A 155
1.44A22.36
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
LEU A 121
HIS A 276
LEU A 124
ALA A 120
PHE A 305
1.37A22.97
None
NA  A 403 (-3.8A)
None
NA  A 403 ( 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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 152
GLY A 164
THR A 169
VAL A 166
ASN A 111
1.54A20.60
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Levofloxacin4 / 5
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.50A21.36
20.70
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.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		S-Adenosylmethionine5 / 11
GLU A 204
GLY A 202
ALA A 205
ALA A 177
GLN A 175
1.55A21.17
21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin4 / 7
LYS A 293
LEU A 291
THR A 282
THR A 278
1.35A21.25
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.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU A 102
MET A 170
LEU A 173
TYR A 137
LEU A 124
1.15A22.09
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		Trifluoperazine3 / 3
GLU A  78
LEU A  76
ASP A  77
1.21A15.31
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.
6F8C_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone5 / 8
ALA A 140
LEU A 153
SER A 115
LEU A 114
THR A 169
1.62A22.44
None
None
NA  A 404 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 7
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.15A24.49
None
None
NA  A 405 (-4.9A)
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.
5UAC_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
GLN A 123
ASP A 144
SER A 104
LEU A 119
ILE A 105
1.78A13.47
None
None
NA  A 404 ( 3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate5 / 12
LEU A 119
GLN A 122
LEU A 121
SER A 156
ILE A 152
1.66A21.49
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.
1E7W_B_MTXB301_1
(PTERIDINE REDUCTASE)		Methotrexate5 / 11
SER A  79
PHE A  80
LEU A 151
TYR A  84
LEU A 173
1.76A22.29
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.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		Hydroquinone5 / 10
VAL A 206
PHE A 242
LEU A 179
LEU A 174
THR A 171
1.43A19.94
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
TYR A  73
TYR A 155
GLU A 135
1.76A22.99
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.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol3 / 3
LEU A 118
HIS A 276
ILE A 286
1.08A22.09
None
NA  A 403 (-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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		Cocaine4 / 8
TYR A 214
LEU A 217
LEU A 212
SER A 246
1.35A19.70
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 7
SER A  86
ASN A  89
ASP A 109
THR A 159
1.22A22.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		Warfarin5 / 12
PHE A 148
ALA A 145
PHE A  96
LEU A 114
LEU A 173
1.49A21.71
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.
5UUN_A_ACTA312_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
ILE A 286
VAL A  99
PRO A  97
0.85A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 7
ASN A 147
PHE A 148
ALA A 145
THR A 103
1.10A21.86
 NA  A 405 (-3.8A)
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  87
SER A  86
GLY A  39
ALA A 132
TYR A 155
1.44A18.31
None
None
None
NA  A 405 (-4.3A)
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.
5VLM_F_CVIF301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA A 154
SER A 156
GLU A 168
LEU A 173
TYR A 274
1.39A18.13
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.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A 292
GLU A 264
THR A 266
HIS A 273
1.69A21.01
None
None
None
GOL  A 409 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RQP_A_SAMA500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		S-Adenosylmethionine4 / 7
ASP A 303
PHE A 305
ASN A 263
ARG A 167
1.73A22.64
None
None
NA  A 403 (-2.6A)
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.
4LB0_B_ACTB401_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid4 / 5
VAL A 126
LEU A 179
VAL A 206
PHE A 242
1.31A21.31
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Valaciclovir5 / 10
TYR A  73
ASN A 147
ALA A 132
ASN A  14
ASN A  89
1.37A19.53
None
NA  A 405 (-3.8A)
NA  A 405 (-4.3A)
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.
4JXC_A_SAMA402_0
(FEFE-HYDROGENASE
MATURASE)		S-Adenosylmethionine5 / 12
GLN A 238
SER A 240
ILE A 223
TYR A 214
LEU A 217
1.77A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
LEU A 173
ILE A 152
PRO A  97
ILE A 286
VAL A 126
1.32A21.35
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.
1YDA_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A  31
HIS A  51
VAL A  22
VAL A   8
THR A  35
1.70A18.77
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.
1ETB_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A 235
GLU A 308
ALA A 205
LEU A 186
1.69A21.60
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.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
ILE A 286
VAL A 166
LEU A 102
ALA A 120
PHE A 305
1.57A23.60
None
None
None
NA  A 403 ( 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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril3 / 3
SER A 116
THR A 169
PHE A 128
1.09A19.31
 NA  A 403 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.43A22.96
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
PHE A 148
CYH A 149
TYR A  84
LEU A  88
LEU A 133
1.69A22.58
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU A 102
ALA A 140
ARG A 141
LEU A 119
1.13A21.36
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.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		Lopinavir5 / 10
LEU A 254
ALA A 279
GLY A 100
ILE A 286
LEU A 283
1.43A15.99
GOL  A 407 (-4.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 9
ILE A 152
PHE A 128
GLN A 175
VAL A 126
LEU A 121
1.48A24.48
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.
4MM4_B_8PRB603_2
(TRANSPORTER)		Paroxetine3 / 3
SER A 246
MET A 209
ASP A 215
1.49A22.41
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.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
SER A 310
VAL A 185
THR A 201
GLU A 204
ALA A 205
1.36A22.19
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  87
GLY A  39
ALA A 150
TYR A  73
TYR A  72
1.47A20.81
None
None
None
None
NA  A 405 (-4.9A)
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.
3TKG_C_ROCC901_3
(PROTEASE)		Saquinavir3 / 3
ASP A  23
THR A  35
PRO A  34
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  87
GLY A  39
ALA A 150
TYR A  73
TYR A  72
1.54A20.81
None
None
None
None
NA  A 405 (-4.9A)
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.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
LEU A 153
PHE A 148
THR A 103
LEU A 121
ALA A 140
1.54A20.12
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.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 152
CYH A 149
ALA A 150
LEU A 133
ALA A 132
1.50A22.03
None
None
None
None
NA  A 405 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		Diclofenac4 / 7
ILE A 286
LEU A 119
TYR A 284
GLY A 101
1.39A18.71
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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		Dopamine4 / 6
PHE A 242
GLY A 202
LEU A 174
VAL A 203
1.22A23.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IEY_A_CLMA401_0
(ESTERASE)		Chloramphenicol5 / 11
ILE A 152
ALA A 177
LEU A 124
PHE A 148
ALA A 136
1.38A22.50
None
None
None
None
NA  A 405 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 11
VAL A 185
ALA A 205
ILE A 223
PRO A 224
THR A 201
1.53A20.78
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		Adenosine4 / 8
HIS A 176
ASN A 178
ALA A 132
HIS A  74
1.27A19.90
None
None
NA  A 405 (-4.3A)
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.
4MM8_A_RFXA603_1
(TRANSPORTER)		Fluoxetine5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.53A22.41
None
None
NA  A 405 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_A_VDYA201_1
(CDL2.2)		Calcidiol5 / 12
LEU A  81
PHE A  80
LEU A 173
MET A 170
ALA A 136
1.53A20.88
None
None
None
None
NA  A 405 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		Halofuginone5 / 12
LEU A 179
ARG A 184
THR A 211
SER A 246
GLY A 210
1.41A20.59
None
NA  A 406 (-2.8A)
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR A  55
ALA A  69
TYR A  73
LEU A  81
1.27A22.05
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.48A21.75
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.52A21.28
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR A 171
LEU A 174
ASN A 178
TYR A 137
LEU A 121
1.58A20.61
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 11
LEU A 260
ALA A 279
ILE A 286
GLY A 100
GLY A 101
1.28A15.36
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Pioglitazone5 / 12
PHE A 148
CYH A 149
TYR A  84
LEU A  88
LEU A 133
1.72A20.93
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib5 / 12
ALA A 150
THR A  91
GLY A  39
ASP A  38
PHE A  57
1.72A22.64
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO A  34
LEU A  59
ARG A  66
1.27A20.53
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Moxifloxacin4 / 6
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.34A21.36
20.70
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
ILE A 315
VAL A 243
GLU A 308
SER A 310
1.46A13.63
None
NA  A 406 ( 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.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 152
CYH A 149
ALA A 150
LEU A 133
ALA A 132
1.50A22.03
None
None
None
None
NA  A 405 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		Acetic acid3 / 3
ARG A  83
ASP A  77
TYR A 155
1.72A22.19
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
VAL A 221
LEU A 254
ASN A 216
ALA A 247
ALA A 250
1.47A21.85
21.79
None
GOL  A 407 (-4.7A)
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid5 / 8
GLY A  39
SER A  86
MET A  85
GLY A  82
LEU A  59
1.27A20.75
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		Lisinopril3 / 3
ALA A 150
THR A  91
PHE A  80
1.46A19.44
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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		Lovastatin4 / 7
LEU A 217
VAL A 221
LYS A 196
LEU A 200
1.25A18.77
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.
1HWI_B_115B1_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
VAL A  42
ASN A  89
ASP A  38
LYS A  92
0.90A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 6
ASN A 147
PHE A 148
ALA A 145
THR A 103
1.16A21.86
 NA  A 405 (-3.8A)
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.
2O4K_A_DR7A301_1
(PROTEASE)		Atazanavir5 / 12
LEU A 260
ALA A 279
ILE A 286
GLY A 100
GLY A 101
1.28A15.96
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		S-Adenosylmethionine5 / 12
ALA A 262
PRO A 300
GLY A 299
ALA A 120
PHE A 305
1.56A21.55
None
None
None
NA  A 403 ( 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.
2W13_A_ACTA1208_0
(ZINC
METALLOPROTEINASE
BAP1)		Acetic acid4 / 4
THR A 159
ARG A  83
GLU A 162
ASN A 157
1.78A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		Glucosamine4 / 7
GLU A 135
TYR A  72
ALA A 130
TYR A  73
1.78A18.39
None
NA  A 405 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR A 171
LEU A 174
ASN A 178
TYR A 137
LEU A 121
1.55A20.61
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		Fluvastatin4 / 7
VAL A  42
ASN A  89
ASP A  38
LYS A  92
1.11A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_B_017B200_1
(FIV PROTEASE)		Darunavir5 / 10
LEU A 254
ALA A 279
GLY A 100
ILE A 286
LEU A 283
1.30A15.99
GOL  A 407 (-4.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		Nicotinamide5 / 11
ALA A 150
THR A  91
ILE A 105
ALA A 136
ALA A 145
1.44A22.88
None
None
None
NA  A 405 ( 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.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		Nicotinamide4 / 7
LEU A 212
SER A 246
ASP A 303
PHE A 259
1.54A21.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		Ribavirin5 / 11
LEU A  88
LEU A 114
THR A 159
GLY A 161
ASP A 109
1.34A20.04
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.
5VLM_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA A 154
SER A 156
GLU A 168
LEU A 173
TYR A 274
1.50A18.13
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  87
GLY A  39
ALA A 150
TYR A  73
TYR A  72
1.48A20.81
None
None
None
None
NA  A 405 (-4.9A)
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
ASN A 111
LEU A 114
SER A 116
LEU A 121
1.69A24.04
None
None
NA  A 403 (-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.
2XZ5_C_ACHC1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
THR A  75
ASP A  77
TYR A  72
TYR A  84
1.66A20.00
None
None
NA  A 405 (-4.9A)
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.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  39
GLY A  82
HIS A  51
ASP A  41
VAL A  42
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  87
SER A  86
GLY A  39
ALA A 132
TYR A 155
1.45A18.31
None
None
None
NA  A 405 (-4.3A)
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
GLY A 101
ILE A 286
GLN A 122
LEU A 119
THR A 278
1.32A22.54
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		Atorvastatin4 / 8
VAL A  42
ASN A  89
ASP A  38
LYS A  92
0.92A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir3 / 3
TYR A 234
LEU A 212
ARG A 184
1.69A21.05
None
None
NA  A 406 (-2.8A)
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.
6B58_A_ACTA606_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid4 / 5
GLU A 264
ASP A 287
HIS A 273
THR A 292
1.68A19.76
None
None
GOL  A 409 (-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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		Posaconazole5 / 12
GLN A 123
LEU A 133
PHE A  80
TYR A  72
THR A  91
1.50A21.30
None
None
None
NA  A 405 (-4.9A)
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.
3ERD_A_DESA600_1
(ESTROGEN RECEPTOR
ALPHA)		Diethylstilbestrol5 / 12
LEU A 121
LEU A 118
LEU A 114
HIS A 176
LEU A 133
1.64A22.96
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.
3U88_A_CHDA611_0
(MENIN)		Cholic Acid3 / 3
SER A 240
PHE A 242
LYS A 307
1.70A19.53
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.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
ALA A 136
GLU A 135
TYR A  73
LEU A 151
1.49A24.49
 NA  A 405 ( 3.8A)
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Acetic acid4 / 5
GLY A 288
ILE A 105
TRP A 107
SER A 115
1.40A21.01
 NA  A 404 (-3.8A)
None
GOL  A 409 (-4.1A)
NA  A 404 (-2.9A)
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.
5VW4_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide5 / 9
SER A 246
THR A 211
GLY A 210
ALA A 247
LEU A 217
1.48A17.94
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.
1EQB_A_FFOA1293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin3 / 3
SER A 240
GLU A 239
GLU A 308
1.14A20.27
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.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib4 / 6
LEU A 179
VAL A 203
LEU A 124
ASP A 303
1.40A23.26
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 7
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.23A20.59
11.46
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.
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
1.05A1.68
21.38
21.04
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
LEU A 118
SER A 115
LEU A 124
ILE A 152
1.27A19.90
None
NA  A 404 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine6 / 12
LEU A 119
LEU A 133
ILE A 152
LEU A 114
VAL A 126
LEU A 174
1.64A21.23
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.
4EJG_B_NCTB501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 8
ASN A 147
PHE A 148
ALA A 145
THR A 103
1.15A21.86
 NA  A 405 (-3.8A)
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid3 / 3
GLY A 100
GLY A 101
GLN A 123
0.86A18.85
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.
3CLB_D_TMQD614_1
(DHFR-TS)		Trimetrexate5 / 10
VAL A 185
ALA A 205
ILE A 223
PRO A 224
THR A 201
1.54A20.78
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		Diclofenac4 / 8
LEU A 212
ASP A 303
ALA A 262
GLU A 264
1.39A18.89
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Cefotaxime4 / 8
TYR A  28
ASP A  38
VAL A   8
GLY A  53
1.21A21.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FXD_A_DR7A102_2
(POL PROTEIN)		Atazanavir4 / 7
ARG A 167
ASP A 287
GLY A 272
PRO A 249
1.22A14.98
None
None
GOL  A 409 (-3.9A)
GOL  A 408 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OK1_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 8
LEU A 179
MET A 245
LEU A 124
ILE A 152
1.43A21.08
None
NA  A 406 (-3.2A)
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.
4OU1_A_BEZA302_0
(RETRO-ALDOLASE,
DESIGN RA114)		Benzoic Acid4 / 8
TYR A 297
ILE A 277
ASN A 263
ALA A 262
1.43A22.19
None
None
NA  A 403 (-2.6A)
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.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)		Acarbose3 / 3
TYR A 113
ALA A 120
LEU A 121
0.77A19.60
None
NA  A 403 ( 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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
VAL A 126
LEU A 124
ALA A 136
ALA A 177
LEU A 179
1.47A19.90
None
None
NA  A 405 ( 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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine4 / 6
TYR A 208
GLY A 210
THR A 211
LEU A 212
1.23A18.60
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Ciprofloxacin4 / 6
ARG A 285
GLY A 299
THR A 266
GLU A 264
1.43A21.36
20.70
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine4 / 5
GLY A  33
PRO A  47
THR A  35
GLN A  31
1.36A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 12
HIS A 276
ARG A 285
LEU A 124
ALA A 120
PHE A 305
1.48A22.47
 NA  A 403 (-3.8A)
None
None
NA  A 403 ( 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.
1D4F_A_ADNA601_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine4 / 5
THR A 292
GLU A 264
THR A 266
HIS A 273
1.77A19.68
None
None
None
GOL  A 409 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		Celecoxib5 / 12
VAL A 206
PHE A 242
VAL A 126
LEU A 174
THR A 171
1.46A19.64
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  23
THR A  35
PRO A  34
1.16A15.69
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Chloramphenicol5 / 11
TYR A  72
MET A  85
LEU A  88
LEU A 151
LEU A  17
1.23A20.98
 NA  A 405 (-4.9A)
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 109
ASN A 111
THR A 169
1.20A16.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.62A21.79
15.79
None
GOL  A 409 (-3.8A)
None
NA  A 404 (-2.9A)
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.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 8
SER A 115
SER A 104
ILE A 286
GLY A 100
GLY A 143
1.46A21.46
 NA  A 404 (-2.9A)
NA  A 404 ( 3.9A)
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.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		Gentian Violet4 / 7
THR A 159
LEU A 153
VAL A 117
TYR A 113
1.41A19.02
None