PDB ID: 1uj1


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '1uj1'

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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin5 / 12
CYH B 145
GLY B 146
ASN B 119
SER B 144
GLY B 143
1.45A20.87
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
GLN A 127
ILE A 106
SER A 113
CYH A 160
1.66A21.84
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
TYR B 126
GLY B 138
ILE B 286
GLY A 283
SER B 284
1.41A23.47
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.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASN A 231
LEU A 262
ALA A 234
THR A 225
LEU A 227
1.14A20.35
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.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B   7
ARG A   4
LYS A   3
ILE B 136
LEU B 141
1.42A22.15
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.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin5 / 12
VAL B 296
GLN B 299
VAL B 297
LEU A 141
SER A 139
1.55A16.67
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 174
PRO B 184
ALA B 194
LEU B 141
LEU B 167
1.41A21.74
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.
2AOU_B_CQAB400_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine5 / 12
GLU B 166
SER B 123
TYR B 126
VAL B 171
CYH B 128
1.63A20.87
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.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
THR A 285
ILE B 286
THR B 280
GLY B 278
0.93A20.10
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
GLY B  71
GLY B  29
GLY B 120
GLN B  19
LEU B 115
1.41A22.29
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.
1JD0_A_AZMA1400_1
(CARBONIC ANHYDRASE
XII)		Acetazolamide5 / 9
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.49A20.12
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.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.65A19.06
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin5 / 11
PHE A   3
THR A 111
GLY A 109
ASP A 289
GLN A 110
1.59A14.94
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine5 / 12
GLY B 124
SER A  10
MET A   6
SER B 147
ALA B 116
1.62A21.00
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.
1SQ5_D_PAUD6004_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 10
ASP A 187
LYS A 180
GLY A 179
LEU A  86
TYR A 161
1.79A21.61
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.
5CYQ_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Rilpivirine5 / 12
PRO B  39
LEU B  86
VAL B  36
PHE B 159
LEU B 177
1.66A18.74
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		Ouabain4 / 6
HIS B 172
LEU B 141
TYR B 182
VAL B 171
1.71A22.73
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
ILE A 213
TYR A 209
ALA A 267
LEU A 282
ARG A 279
1.49A19.94
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.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		Ibuprofen5 / 12
ASP A  56
ARG A  60
ILE A  43
CYH A  44
ARG A  40
1.67A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		Copper3 / 3
HIS B 172
HIS B 163
ILE B 136
1.25A19.77
21.27
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.
6FN9_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A  49
GLN A 189
ARG A 188
1.41A23.15
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.
3DAZ_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 10
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.52A23.24
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.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 11
PHE B   3
LEU B 282
SER B   1
GLY A 138
ILE B 213
1.27A20.78
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.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		Halofuginone3 / 3
THR A 198
GLU A 240
HIS A 134
1.67A20.87
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.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		Agmatine4 / 8
GLN A 127
SER A 113
VAL A 114
GLY A 138
1.06A22.26
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		Etravirine5 / 12
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.62A18.32
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
VAL B 148
ASN B  95
LEU B  32
LEU B  86
LEU B 177
1.38A21.41
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
PHE A 150
VAL A  13
PHE B 150
ALA A   7
SER A 113
1.72A20.72
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.
5M36_A_BEZA303_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A  49
GLN A 189
ARG A 188
1.42A22.44
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.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 8
ALA B 129
ILE B 136
TYR B 161
HIS B 163
1.31A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 8
PRO A 108
GLU A 290
ALA A 129
PRO A 132
1.51A19.23
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		Benzoic Acid4 / 6
ARG A 131
THR A 111
ALA A 129
PRO A 293
1.65A18.64
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		Benzoic Acid4 / 8
PRO A 108
GLU A 290
ALA A 129
PRO A 132
1.33A19.23
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.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
THR A 285
ILE B 286
THR B 280
GLY B 278
0.92A20.10
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.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.59A19.06
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.
6EKU_A_ZMRA901_2
(SIALIDASE)		Zanamivir4 / 6
ASP B  34
ASN B  63
LEU B  87
SER B  81
1.41A19.44
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.
6GNF_C_QPSC602_1
(-)		Acarbose5 / 10
GLY B 143
LEU B 141
TYR B 126
SER B  10
HIS B 163
1.65A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 8
SER B 144
ALA B 116
SER B 123
TYR B 126
1.67A20.25
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		Ribavirin5 / 12
GLY B 174
ALA B 173
ASN B 142
GLU B 166
SER B 144
1.47A21.13
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE B 112
LEU B 141
GLY B 174
ILE B 106
1.25A20.42
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.
3HVT_A_NVPA557_1
(HIV-1 REVERSE
TRANSCRIPTASE
(SUBUNIT P66))		Nevirapine5 / 9
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.77A19.23
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.
3DCS_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 10
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.45A23.64
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.
6C71_A_NCTA501_1
(AMINE OXIDASE)		Nicotine5 / 10
TRP A 218
LEU A 272
GLU A 270
ALA A 266
ASN A 221
1.61A21.43
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
GLY B 170
ASN B 133
GLY B 174
SER B 139
ARG A   4
1.53A21.69
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		Quinine4 / 7
PHE B   3
LEU B 282
SER B   1
VAL B 296
1.38A22.34
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		Benzylpenicillin4 / 7
PHE B 291
SER B 113
SER A 139
PHE B   3
1.50A19.93
20.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
CYH B 300
GLY B 302
ILE B 213
THR B 257
LEU B 253
1.32A21.73
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.
3AQI_A_CHDA2_0
(FERROCHELATASE)		Cholic Acid4 / 6
ARG A   4
PRO B  39
GLY B 174
MET B 165
1.74A20.74
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN A 127
PHE A   8
PHE A 150
LEU A 115
1.37A21.81
11.44
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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 9
LEU B 272
ALA B 206
LEU B 208
MET B 264
PHE B 230
1.54A21.86
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 5
LEU A 282
PHE B 140
VAL A 296
ALA A 210
1.58A21.24
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.
4HDL_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A 213
ILE A 281
LYS B 137
GLY B 138
1.30A11.11
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.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		Acetic acid4 / 6
TYR B 126
GLY B 143
SER B 144
LEU B 141
1.67A21.10
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.
3VYW_C_SAMC401_0
(MNMC2)		S-Adenosylmethionine5 / 12
HIS B 163
GLY B 170
GLY B 138
ASN B 142
PHE B 185
1.48A21.47
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.
5CYM_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Rilpivirine5 / 12
PRO B  39
LEU B  86
VAL B  36
PHE B 159
LEU B 177
1.65A18.74
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
GLU B 290
LEU B 141
GLY B 138
VAL B 114
ALA B 116
1.55A20.96
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.
3TBG_A_RTZA1_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
PHE B 140
GLY A 283
LEU A 282
SER B 139
PHE A 291
1.55A22.34
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 11
THR A 292
GLU A 288
GLY A 109
ALA A 129
ARG B   4
1.38A23.89
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.
3VYW_D_SAMD401_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY A 170
GLY B   2
ALA A 194
PHE A 140
LEU A 167
1.64A21.47
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.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
LEU B 141
GLY B 138
SER B  10
VAL A 125
ARG A   4
1.62A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
CYH B 300
GLU A 166
GLY A 138
GLY B   2
1.79A22.55
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.
1VPT_A_SAMA400_0
(VP39)		S-Adenosylmethionine5 / 12
LEU B 141
GLY B 149
GLY B 174
HIS B 163
VAL B 157
1.25A17.93
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.
2REZ_A_ACTA155_0
(MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN)		Acetic acid4 / 5
ARG B 298
GLY A 124
PRO B   9
PHE B   8
1.51A19.41
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 174
PRO B 184
ALA B 194
LEU B 141
LEU B 167
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
LEU A 208
TRP A 207
GLY A 283
ASP A 216
1.42A20.58
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide5 / 12
PHE A 150
ILE A 152
GLY A  11
SER B  10
LEU B 115
1.29A18.41
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.
3V2M_A_AZMA303_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 10
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.57A23.24
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 6
PHE B 140
SER B 144
ALA B 116
LEU B 141
1.46A22.61
3.45
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN A 127
PHE A   8
PHE A 150
LEU A 115
1.41A21.81
11.44
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.
1YC2_B_NCAB508_0
(NAD-DEPENDENT
DEACETYLASE 2)		Nicotinamide4 / 5
GLN B 299
LEU A 141
TYR A 118
TYR A 126
1.73A19.94
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin5 / 10
LEU B 253
ILE B 213
ILE B 286
GLU B 288
LEU B 208
1.65A21.48
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.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		Acetic acid4 / 4
TYR B 126
GLY B 143
SER B 144
LEU B 141
1.64A21.10
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		Streptomycin4 / 6
GLU A 290
ILE A 200
ASN A 203
VAL A 104
1.39A18.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine4 / 7
ALA B 234
CYH B 265
ASN B 203
LEU B 205
1.22A21.17
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		Edetic Acid4 / 7
SER B   1
HIS A 172
GLY A 170
LEU A 141
1.40A23.15
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU B  30
GLY B 146
VAL B 114
ILE B 136
GLY B 174
1.59A16.43
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.
1HRK_B_CHDB2501_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU B  86
LEU B 177
MET B 162
VAL B  13
VAL B  20
1.69A20.74
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		Amikacin5 / 10
GLY A 302
ASP A 153
GLU B  14
VAL A  13
GLU A  14
1.80A18.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin5 / 11
PHE A   3
LEU A 202
THR A 111
ALA A 129
GLN A 127
1.55A14.94
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN A 127
PHE A   8
PHE A 150
LEU A 115
1.38A21.81
11.44
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN A 127
PHE A   8
PHE A 150
LEU A 115
1.34A21.81
11.44
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		Camphor3 / 3
GLY A 258
ILE A 213
VAL A 212
0.72A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus4 / 8
ASP B 216
VAL B 204
ILE B 213
PHE B 219
1.27A18.77
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE A 140
LEU A 167
SER B   1
GLY A 170
1.59A7.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		Nicotinamide5 / 11
THR B 257
ILE B 213
ALA B 206
ALA B 210
VAL B 212
1.36A20.10
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		Panobinostat5 / 12
ASP A 295
HIS B 163
HIS B 172
PHE B 140
TYR B 126
1.80A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		S-Adenosylmethionine5 / 12
ASN B 142
PHE B 185
GLY B 174
HIS B 163
ASP B 187
1.69A20.96
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.
5JN8_C_AZMC701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 9
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.43A19.29
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER B   1
GLY B 283
GLU A 288
1.00A21.54
19.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG4_A_SAMA500_0
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B  68
GLY B  29
GLY B 143
THR B  26
VAL B  42
1.29A22.15
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.
1JD0_B_AZMB2401_1
(CARBONIC ANHYDRASE
XII)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.39A20.12
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 174
PRO B 184
ALA B 194
LEU B 141
LEU B 167
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.
5JNC_C_6LHC302_0
(CARBONIC ANHYDRASE 4)		Mafenide5 / 9
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.47A19.29
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.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
TYR A 126
ILE A 136
HIS A 163
GLY A 143
MET A  49
1.44A21.81
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.
6A7P_B_9SCB601_1
(SERUM ALBUMIN)		Aripiprazole4 / 6
ASN A 214
PHE A   3
LEU A 253
SER A 301
1.59A18.70
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid3 / 3
GLY A 138
GLY B   2
GLN B 299
0.95A17.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OCT_A_1N1A663_2
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib4 / 5
PHE B 230
ILE B 249
MET B 264
ASN B 221
1.45A20.69
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
PRO B   9
ARG B 298
VAL A  13
GLY A  15
1.19A20.48
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.43A19.29
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
TYR B 126
SER B 144
ALA B 116
SER B 123
1.67A20.25
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.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 146
ALA B 173
ILE B 136
LEU B 115
LEU B 141
1.08A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 11
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.40A19.29
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.
3QUO_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin5 / 8
GLY A 170
GLY B 215
ILE B 213
GLY B   2
SER B   1
1.65A20.61
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER B 144
TYR B 161
SER B 147
ILE B 136
GLY B 143
1.74A20.50
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.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
MET A  82
GLY A  79
VAL A  77
CYH A  44
CYH A  38
1.42A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MEG_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
PRO B  39
LEU B  86
VAL B  36
PHE B 159
LEU B 177
1.69A18.32
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 11
ALA A   7
GLY B  11
GLY A  11
ASN B  95
PRO B 122
1.34A22.09
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Clarithromycin5 / 12
ILE B 136
TYR B 161
HIS B 163
SER B 123
PHE B 140
1.45A20.42
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.
5M35_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A  49
GLN A 189
ARG A 188
1.42A22.44
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.
6FNA_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A  49
GLN A 189
ARG A 188
1.41A23.15
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.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 10
PHE B   3
LEU B 282
SER B   1
GLY A 138
ILE B 213
1.22A20.78
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.
1SQ5_B_PAUB6003_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 10
ASP A 187
LYS A 180
GLY A 179
LEU A  86
TYR A 161
1.78A21.61
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.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 7
TYR B 182
GLY B 179
THR B 175
ASN B  84
1.10A21.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		Valdecoxib5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.46A23.08
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 12
HIS B 163
SER B 144
LEU B  30
GLY B  29
VAL B  13
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.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 8
THR A 285
ILE B 286
THR B 280
GLY B 278
0.91A20.10
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.
6ELI_A_T27A701_1
(REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
PRO B  39
LEU B  86
VAL B  36
PHE B 159
LEU B 177
1.65A18.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 7
PHE A 291
VAL A 296
ILE A 281
SER B 139
1.45A10.94
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
ASN A 119
THR A  21
LEU A  67
GLN A  74
1.36A18.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)		Ivermectin5 / 11
GLU A 178
ASN A  84
HIS A 134
ILE A 106
LEU A  86
1.80A21.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		Levodopa5 / 11
PHE B   3
LEU B 282
SER B   1
GLY A 138
ILE B 213
1.26A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		Propranolol4 / 7
GLN A 127
PHE A 140
GLY A 138
VAL A 171
0.75A20.66
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ILE A 286
ARG A 279
ASP A 216
VAL A 204
1.74A20.72
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.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		Glycine4 / 8
ALA A 129
THR A 111
ARG A 131
GLN A 127
0.97A19.58
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
ASN A 133
GLY A 195
PRO A 168
1.44A19.15
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.
1ZSB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.40A22.78
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL B  13
LEU B 141
SER B  10
PRO B 122
GLY B 120
1.48A21.29
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.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
THR A 285
ILE B 286
THR B 280
GLY B 278
0.91A20.10
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.
5YW0_A_ACTA411_0
(UNCHARACTERIZED
PROTEIN KDOO)		Acetic acid3 / 3
LYS A  61
LEU A  57
ARG A  60
1.56A24.48
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.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B  27
THR B  25
ASP B 187
LEU B  87
MET B  49
1.80A20.19
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.
1SQ5_C_PAUC6002_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 9
ASP A 187
LYS A 180
GLY A 179
LEU A  86
TYR A 161
1.80A21.61
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.
5JN9_C_EZLC302_1
(CARBONIC ANHYDRASE 4)		Ethoxzolamide5 / 9
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.52A19.29
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.
3WRK_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE B 112
LEU B 141
GLY B 174
ILE B 106
1.35A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSH_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT
REVERSE
TRANSCRIPTASE P51
SUBUNIT)		Efavirenz5 / 11
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.63A19.06
20.58
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.
3J6G_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL B 212
ASP B 216
LEU B 250
THR B 201
LEU B 268
1.65A20.44
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.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
LEU B 141
GLY B 138
SER B  10
VAL A 125
ARG A   4
1.65A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
ILE A  43
LEU A  87
VAL A  20
ALA A  70
1.34A9.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		Halofuginone3 / 3
THR A 198
GLU A 240
HIS A 134
1.64A19.56
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.73A18.50
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.
1MZ9_A_VDYA1002_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
ILE A  43
LEU A  87
VAL A  20
ALA A  70
1.35A9.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN A 127
PHE A   8
PHE A 150
LEU A 115
1.46A21.81
11.44
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
PHE B 140
1.57A20.72
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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
PHE A 181
HIS A 172
LEU A 177
HIS A 163
LEU A 167
1.71A21.88
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.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
VAL A 296
PHE B 140
ASN A 214
SER B 139
TRP A 207
1.79A22.77
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.
5M78_A_SALA304_1
(CARBONIC ANHYDRASE 2)		Salicylic acid5 / 7
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.47A23.24
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.
5KU6_C_MZMC301_1
(CARBONIC ANHYDRASE 4)		Methazolamide5 / 9
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.43A19.29
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.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl3 / 3
ARG B 298
PRO B   9
TYR A 118
0.85A23.78
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 10
LEU A 271
ILE A 286
PHE A 291
ALA A 211
GLU A 270
1.46A20.00
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL B  13
LEU B 141
SER B  10
PRO B 122
GLY B 120
1.48A20.65
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.
1SQ5_A_PAUA6001_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 9
ASP A 187
LYS A 180
GLY A 179
LEU A  86
TYR A 161
1.78A21.61
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE B 150
LEU B 141
GLY B 146
LEU B  30
ALA B 116
1.71A24.79
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 167
ILE A 136
GLY A 170
PHE A 140
1.42A20.35
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.
6FNB_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A  49
GLN A 189
ARG A 188
1.42A23.15
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		Amlodipine5 / 11
ILE B 213
PHE B 219
ILE B 281
VAL B 296
VAL B 204
1.60A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Levonorgestrel4 / 8
THR B 175
ASP B 176
PHE B 159
MET B 162
1.32A21.36
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.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid5 / 12
LEU A  30
ASN A 151
PHE A 150
VAL A  13
HIS A 164
1.67A20.26
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.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast5 / 12
HIS A  41
ASN A  28
TYR A 118
SER B   1
PHE A 140
1.67A21.23
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
ALA A   7
ALA B 116
GLY A 302
THR A 292
THR A 111
1.48A21.31
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.
3MEE_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
PRO B  39
LEU B  86
VAL B  36
PHE B 159
LEU B 177
1.71A18.32
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.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A19.29
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 6
GLY A 174
TYR A 182
LEU A 167
VAL A 186
1.42A20.32
None