PDB ID: 3snd


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6U8

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

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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		Grazoprevir4 / 9
ASP A  33
LEU A 177
VAL A 157
SER A 158
1.36A23.13
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		Efavirenz5 / 11
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.80A18.32
20.97
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		Acetic acid3 / 3
SER A 123
GLY B 302
SER A 139
0.98A21.41
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU C   4
LEU A  27
ILE A  43
MET A  49
1.44A6.06
3.96
ECC  C   5 ( 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.
5EHG_A_SAMA301_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.21A21.15
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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		Methazolamide4 / 8
PHE A 181
HIS A 163
HIS A 172
LEU C   4
1.07A22.01
None
ECC  C   5 ( 4.0A)
ECC  C   5 ( 4.8A)
ECC  C   5 ( 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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 11
LEU C   4
LEU A 167
PRO A 168
ALA A 173
GLY A 183
1.44A5.88
ECC  C   5 ( 4.4A)
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 275
ASN A 277
ARG A 279
LEU A 268
PHE A 230
1.16A20.98
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 12
ILE A 281
MET A 276
GLY A 275
GLU A 270
LEU A 271
1.44A19.53
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.
5M5B_A_SAMA1001_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.23A20.54
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
TYR B 209
ARG B 217
ILE B 281
ALA B 211
1.07A20.25
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.27A23.59
None
None
None
None
MRD  A 307 (-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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 11
PHE B 305
ASP B 295
THR B 292
GLU B 288
ALA B   7
1.61A22.54
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.
5IKM_A_SAMA311_0
(NS5 METHYL
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.19A22.56
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Amiloride4 / 8
SER A 123
GLN B 306
SER A 121
GLY B 302
1.17A20.78
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR B  25
LEU B  57
LEU B  58
HIS B 164
LEU D   4
1.56A21.91
None
None
None
None
ECC  D   5 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NJV_C_SAMC301_0
(NS5)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.21A20.85
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 11
GLN A 273
LEU A 205
VAL A 261
ALA A 260
ARG A 222
1.37A13.77
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.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		S-Adenosylmethionine5 / 12
ALA A 173
GLY A 183
LEU C   4
LEU A 167
PRO A 168
1.42A15.90
None
None
ECC  C   5 ( 4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 234
ASP A 289
PRO A 132
THR A 292
GLU A 240
1.75A20.85
None
None
MRD  A 307 ( 4.2A)
None
MRD  A 307 ( 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.
1MJQ_D_SAMD200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 12
HIS A 164
PHE A 185
GLY A 174
HIS A  41
LEU C   4
1.40A15.90
None
None
None
None
ECC  C   5 ( 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.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Fluvoxamine5 / 9
ASP A 153
SER A 158
SER B 123
GLY B 124
THR A 292
1.64A20.70
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.
5KQR_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.22A20.91
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
ALA A 173
GLY A 183
LEU C   4
LEU A 167
PRO A 168
1.45A17.31
None
None
ECC  C   5 ( 4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		S-Adenosylmethionine5 / 11
HIS A  41
LEU C   4
HIS A 164
PHE A 185
GLY A 174
1.21A17.31
None
ECC  C   5 ( 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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
LEU C   4
ASP A 187
ILE A  43
ARG A  40
1.75A6.25
4.90
ECC  C   5 ( 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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		Estradiol4 / 5
LEU A 268
LEU A 250
PHE A 230
LEU A 242
1.19A21.67
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		Cefamandole4 / 8
LEU C   4
ALA A 191
THR A 190
GLY A 174
1.26A3.03
ECC  C   5 ( 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.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ALA A 206
ASN A 203
GLN A 110
ILE A 249
ASN A 151
1.61A19.19
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
HIS A 164
PHE A 185
GLY A 174
HIS A  41
LEU C   4
1.48A15.90
None
None
None
None
ECC  C   5 ( 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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 12
HIS A 164
PHE A 185
GLY A 174
HIS A  41
LEU C   4
1.39A15.90
None
None
None
None
ECC  C   5 ( 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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)		Ritonavir3 / 3
ARG A  40
PHE A 140
LEU C   4
1.08A21.00
None
None
ECC  C   5 ( 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.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
LEU C   4
LEU A 167
PRO A 168
ALA A 173
GLY A 183
1.42A5.88
ECC  C   5 ( 4.4A)
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.
5WZ2_C_SAMC601_0
(NS5 MTASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.16A20.85
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 10
ASP A 153
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.56A19.93
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 106
GLY A 109
THR A 196
PRO A 184
PHE A 185
1.42A21.79
None
MRD  A 307 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine5 / 10
LEU A 167
GLY A 170
GLY B   2
VAL A 171
ALA A 194
1.32A21.33
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.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.23A21.15
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.
3NDX_A_RITA100_1
(PROTEASE)		Ritonavir5 / 12
ARG B 298
GLY B   2
ASP B 216
ILE B 281
VAL B 296
1.22A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_A_ADNA2414_1
(RNA-DIRECTED RNA
POLYMERASE L)		Adenosine4 / 6
PHE A 181
ARG A 105
TYR A 182
HIS A 134
1.70A20.87
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 141
GLU A 166
GLY A 138
ASN B 214
CYH A 128
1.66A23.99
None
ECC  C   5 ( 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.
1ZUC_A_T98A201_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 10
ASN B  51
LEU B  57
ARG B  60
LEU D   4
THR B 190
1.76A20.50
None
None
None
ECC  D   5 ( 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.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		Telbivudine5 / 12
VAL B 125
PHE A 150
MET B   6
ALA A 116
GLU B  14
1.59A19.94
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.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir4 / 7
ARG A 279
ASP A 216
ALA A 211
ILE A 281
1.33A16.17
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.
4UCI_B_ADNB2415_1
(RNA-DIRECTED RNA
POLYMERASE L)		Adenosine4 / 7
PHE A 181
ARG A 105
TYR A 182
HIS A 134
1.78A20.87
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		Adenosine5 / 12
ASN A 214
GLY B 170
PHE A 305
GLY A 215
ASP A 216
1.54A22.80
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.
1XZX_X_T3X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Liothyronine3 / 3
PHE A 181
ARG A  88
ASN A  84
0.91A22.52
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.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 177
LEU A  30
ILE A 106
GLN A 110
PRO A  99
1.57A20.83
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 106
ILE B 136
GLY B 109
THR B 292
PHE B 294
1.60A24.32
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.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		4-Androstenedione4 / 8
HIS A 164
TYR A  54
LEU C   4
MET A  49
1.78A19.11
None
None
ECC  C   5 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		Acetic acid4 / 6
TYR A 118
GLY B 302
SER A 123
THR B 304
1.56A19.61
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.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		Benzoic Acid4 / 6
HIS B 246
LEU B 205
LEU B 250
PRO B 293
1.67A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.18A20.96
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.
2A68_M_RBTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		Rifabutin5 / 11
GLN B 299
ASP B 295
ARG B 298
SER A 123
ASN B 151
1.60A15.35
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.
3AOC_C_ERYC3402_0
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Erythromycin5 / 12
MET B 276
ILE B 281
LEU A 287
ASP A 289
GLU A 290
1.75A14.91
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.
3LN1_A_CELA682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 8
LEU A 220
LEU A 287
ARG A 279
PHE A 219
1.24A19.49
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.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole5 / 9
LEU B 205
VAL B 247
ILE B 259
ALA B 260
THR B 224
1.34A21.46
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.
3VAQ_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 4
LEU A 141
GLY B 302
MET B   6
PHE A 140
1.62A20.35
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YO9_A_ACTA403_0
(3C-LIKE PROTEINASE)		Acetic acid5 / 5
TYR B 118
SER B 139
LEU B 141
MET A   6
GLN A 299
0.34A51.13
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.
1MJL_B_SAMB400_0
(METHIONINE REPRESSOR
PROTEIN METJ)		S-Adenosylmethionine5 / 9
HIS A  41
LEU C   4
HIS A 164
PHE A 185
GLY A 174
1.43A15.90
None
ECC  C   5 ( 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.
3SJ0_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 7
ILE B 152
LYS B  97
LYS A  97
GLY A  15
1.78A11.45
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.
5KQS_A_SAMA307_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.18A20.91
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
TYR B 161
PHE B 150
ASP B 153
VAL B 157
PHE B   8
1.57A19.15
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		Acarbose5 / 12
GLU A  14
PHE A 150
GLY A 149
GLY B 124
ARG A 298
1.56A19.86
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 136
GLY B 109
THR B 292
PHE B 294
ILE B 106
1.59A24.32
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		S-Adenosylmethionine5 / 11
ALA A 173
HIS A 164
PHE A 185
HIS A  41
LEU C   4
1.59A15.90
None
None
None
None
ECC  C   5 ( 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.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		Tetracycline4 / 7
ASP A 155
PRO A  99
VAL A  13
LEU A 177
1.49A10.75
19.20
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		Quinine5 / 12
SER B 139
GLY A 215
GLN A 256
GLY A 302
LEU B 141
1.73A22.47
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A  14
LEU A 115
LEU A 177
LEU A  32
CYH A  16
1.28A20.47
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		S-Adenosylmethionine5 / 12
LEU A  87
CYH A  38
GLY A  23
THR A  24
LEU A  89
1.22A20.45
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.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.22A21.15
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 6
ARG B 298
GLY B 302
ASN B 214
MET A  17
1.28A17.92
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU C   4
LEU A  27
ILE A  43
MET A  49
1.46A6.25
4.90
ECC  C   5 ( 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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.65A24.32
None
None
MRD  A 307 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FKO_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		Efavirenz5 / 10
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.71A19.88
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		Cefamandole4 / 5
ARG B 131
THR B 199
GLU B 288
GLU B 290
1.56A22.89
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		Cyproterone acetate5 / 12
GLN A 127
VAL B 125
ARG A 298
ALA A 116
PHE A 140
1.34A21.41
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 11
HIS A  41
LEU C   4
HIS A 164
PHE A 185
GLY A 174
1.31A15.90
None
ECC  C   5 ( 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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Dasatinib4 / 8
ALA B 129
GLU B 240
ILE B 200
VAL B 157
1.31A19.53
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.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.20A21.15
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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		Acetazolamide4 / 8
PHE A 181
HIS A 163
HIS A 172
LEU C   4
1.07A22.01
None
ECC  C   5 ( 4.0A)
ECC  C   5 ( 4.8A)
ECC  C   5 ( 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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU B 205
ALA B 206
LEU B 253
HIS B 246
LEU B 202
1.66A20.25
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.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
LEU A 177
VAL A 148
ALA A 116
CYH A 117
1.60A9.83
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.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)		Suramin3 / 3
PRO A  39
PHE A 140
LYS C   4
1.18A17.10
None
None
ECC  C   5 ( 1.2A)
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
LEU A 220
LEU A 287
ARG A 279
PHE A 219
1.25A19.49
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.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
LEU B  67
GLN B  69
LYS B  61
1.67A19.64
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.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLY B 283
VAL A 114
ILE A 136
1.23A20.57
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLN A 110
GLY A 109
GLU A 290
ILE A 136
1.38A22.15
None
MRD  A 307 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKK_A_SAMA301_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 283
ARG A   4
ASN A 214
ALA A 211
GLU B 288
1.59A21.57
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 11
HIS A 164
PHE A 185
GLY A 174
HIS A  41
LEU C   4
1.48A15.90
None
None
None
None
ECC  C   5 ( 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.
3NDX_A_RITA100_2
(PROTEASE)		Ritonavir5 / 11
ARG B 298
GLY B   2
ASP B 216
ILE B 281
VAL B 296
1.31A18.02
None