PDB ID: 2z9l


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2z9l'

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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
GLY A  11
GLY B  11
GLU A  14
VAL A 125
ILE A 152
1.46A19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
GLY A  11
GLY B  11
GLU A  14
VAL A 125
ILE A 152
1.49A19.64
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
GLY A   2
GLY B 138
TYR B 126
SER A   1
TYR B 118
1.46A21.85
None
None
None
DMS  B 603 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B 202
ASN B 203
LEU B 205
VAL B 297
THR B 111
1.75A20.97
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.
5MUR_B_PFLB407_1
(PROTON-GATED ION
CHANNEL)		Propofol4 / 7
ILE A 286
ILE B 286
THR B 280
ILE B 281
1.45A21.78
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.
4KBE_A_ADNA401_2
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine3 / 3
SER A 144
TYR A 118
PRO A  39
1.69A20.65
DMS  A 604 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_A_NIOA704_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 4
SER A   1
PHE B 140
GLU B 166
GLY B 138
1.78A21.09
DMS  B 603 ( 4.3A)
None
DMS  B 603 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_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
1.62A24.32
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		Acetic acid4 / 5
GLY B 138
LYS A   1
GLU B 166
GLY A   2
1.57A21.71
None
None
DMS  B 603 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene3 / 3
TYR B 126
TYR B 161
GLY B 138
0.43A19.73
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.
5ARF_A_SAMA1002_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		S-Adenosylmethionine5 / 12
GLY A   2
ARG A   4
HIS B 172
ALA B 116
TYR B 118
1.73A20.28
None
None
DMS  B 603 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_E_FUAE706_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 10
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.61A24.09
None
DMS  A 605 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_2
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine3 / 3
SER A 144
TYR A 118
PRO A  39
1.68A20.65
DMS  A 604 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		Dasatinib5 / 11
ALA A 206
GLU A 290
TYR A 209
LEU A 208
ASP A 289
1.53A18.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
CYH A 300
ILE A 213
VAL A 212
GLY A 215
LEU B 141
1.60A19.13
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.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin5 / 10
ALA A 206
ALA A 211
ARG A 217
LEU A 282
LEU A 253
1.68A18.70
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.30A19.49
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.
2HC4_A_VDXA525_2
(VITAMIN D RECEPTOR)		Calcitriol4 / 7
LEU A 205
LEU A 208
ARG A 217
TRP A 218
1.01A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU A 208
ALA A 211
LYS A   5
PHE A 294
THR A 292
1.55A15.15
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.
3HTH_B_PRLB201_0
(EBRA REPRESSOR)		Proflavine5 / 9
VAL B 296
LEU B 208
TRP B 207
GLU B 288
LEU B 268
1.62A19.17
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.
1Q23_I_FUAI707_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.61A24.09
None
DMS  A 605 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Paroxetine5 / 10
ALA A 210
ILE A 213
GLY A 302
SER A   1
VAL A 297
1.31A20.70
None
None
None
DMS  B 603 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		S-Adenosylmethionine5 / 12
TYR A  54
HIS A 164
ILE A  43
LEU A  89
LEU A  30
1.41A20.12
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.
2UVN_B_ECNB1406_1
(CYTOCHROME P450 130)		Econazole5 / 11
PRO A  39
GLY A  29
LEU A 177
TYR A 161
VAL A 148
1.73A20.43
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.
4QZU_D_ACTD202_0
(RETINOL-BINDING
PROTEIN 2)		Acetic acid4 / 5
ASP A 289
VAL A 204
TRP A 207
GLU A 288
1.57A19.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Moxifloxacin4 / 7
ALA A 234
ASP A 197
THR A 111
GLU A 290
1.33A21.27
21.73
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.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Methotrexate5 / 12
ALA B 266
LEU B 220
ASP B 263
LEU B 253
THR B 224
1.63A20.74
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		Saxagliptin5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.60A16.43
DMS  A 605 (-4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA508_0
(CHORISMATE SYNTHASE)		Acetic acid4 / 5
LEU A  58
ARG A  40
ASP A  56
ILE A  43
1.68A20.10
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.
4KAN_A_ADNA401_2
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine3 / 3
SER A 144
TYR A 118
PRO A  39
1.69A20.65
DMS  A 604 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 6
PHE A 140
ARG A 131
GLY A 138
LYS A 137
1.44A18.70
DMS  A 604 (-4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE B 140
SER A   1
ALA B 173
GLY B 138
LEU B  32
1.52A17.83
10.07
None
DMS  B 603 ( 4.3A)
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.
1FBM_B_RTLB951_1
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 4
THR A  35
LEU A  89
VAL A  68
LEU A  67
1.44A10.10
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Levofloxacin4 / 7
ALA A 234
ASP A 197
THR A 111
GLU A 290
1.29A21.27
21.73
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 7
HIS B 163
HIS B 172
LEU B 167
SER A   1
1.27A20.44
DMS  B 603 (-3.7A)
DMS  B 603 ( 4.8A)
None
DMS  B 603 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
PHE B 219
ASN B 214
GLY B 215
ILE B 259
1.22A18.12
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine5 / 12
LEU B 141
VAL B 125
SER A 113
SER A  10
PHE A 305
1.51A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 7
PHE A 305
PHE A   8
ALA A   7
LEU B 115
1.16A18.53
None
DMS  A 605 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP6_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		Iloprost5 / 12
CYH B 117
THR A 304
SER B 123
VAL B 114
TYR B 126
1.73A22.15
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.
5UXC_A_ZITA307_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Azithromycin4 / 5
ASP A 155
PRO B 122
ARG A 298
THR A 304
1.71A19.23
None
None
DMS  A 605 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		Losartan3 / 3
LEU B 272
VAL B 204
ASP B 289
1.12A21.41
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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.74A20.54
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
LEU A 177
VAL A  42
THR A  35
LEU A  32
TYR A 101
1.20A19.68
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL A 303
GLY B 124
ALA B   7
PHE A 305
ALA A   7
1.60A21.20
None
DMS  A 605 ( 4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU A 141
ALA A   7
ALA B   7
MET B   6
TYR A 126
1.68A18.69
None
None
None
DMS  B 606 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine6 / 11
GLY B  15
GLY B  11
VAL B  13
VAL B 148
GLY B 120
SER B 121
1.54A21.33
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine5 / 12
ALA A 173
PRO A 184
GLY A 195
THR A 196
THR A 198
1.33A19.35
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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A5 / 12
MET A  17
THR A 175
LEU A  89
LEU A  86
LEU A  27
1.49A18.36
None
None
None
None
DAZ  A 701 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Gatifloxacin4 / 7
ALA A 234
ASP A 197
THR A 111
GLU A 290
1.30A21.27
21.73
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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.49A21.58
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.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
SER B 254
ASP B 289
THR B 199
ALA B 267
LEU B 268
1.35A22.06
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.
4LBG_A_ADNA401_2
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine3 / 3
SER A 144
TYR A 118
PRO A  39
1.68A20.65
DMS  A 604 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 12
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.54A24.09
None
DMS  A 605 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWN_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Paroxetine5 / 11
ALA A 210
ILE A 213
GLY A 302
SER A   1
VAL A 297
1.35A20.70
None
None
None
DMS  B 603 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 10
VAL B 204
MET B 276
ILE B 286
ILE A 286
LEU B 282
1.67A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXD_A_SAMA501_0
(SMYD3
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ARG A   4
GLY A   2
GLU B 166
TYR B 161
PHE B 140
1.76A18.06
None
None
DMS  B 603 ( 4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.33A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine3 / 3
ILE A 286
MET B 276
ARG B 279
1.15A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCX_A_ZMRA519_1
(NEURAMINIDASE)		Zanamivir3 / 3
TRP B 207
ILE B 286
GLU A 288
1.33A21.36
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		Edrophonium4 / 7
TYR B 118
GLU B 166
SER A   1
HIS B 172
1.22A20.07
None
DMS  B 603 ( 4.2A)
DMS  B 603 ( 4.3A)
DMS  B 603 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_G_FUAG708_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.57A24.09
None
DMS  A 605 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 9
TYR B 101
VAL B 157
VAL B 148
PHE A 305
LEU B  30
1.71A20.72
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.
4N09_D_ADND401_2
(ADENOSINE KINASE)		Adenosine4 / 5
CYH A  22
LEU A  89
SER A  65
LEU A  87
1.04A22.85
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		Timolol3 / 3
THR A 304
SER B 123
PHE A 294
1.36A20.29
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		Decamethonium4 / 8
TYR B 118
GLU B 166
SER A   1
HIS B 172
1.48A20.94
None
DMS  B 603 ( 4.2A)
DMS  B 603 ( 4.3A)
DMS  B 603 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Benzoic Acid4 / 5
GLU B 166
GLY B 138
SER A   1
PHE B 140
1.65A23.91
DMS  B 603 ( 4.2A)
None
DMS  B 603 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_FFOA1293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
GLY B 149
SER B 113
SER B 121
PRO B 122
PHE A 305
0.79A20.94
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.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 11
ILE A 249
LEU A 202
THR A 201
LEU A 250
TYR A 209
1.45A21.72
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
HIS B 163
HIS B 172
LEU B 167
SER A   1
1.23A20.44
DMS  B 603 (-3.7A)
DMS  B 603 ( 4.8A)
None
DMS  B 603 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR B 285
THR A 199
LEU A 272
0.96A19.64
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		Suramin4 / 8
GLY B 215
ASN B 214
PHE B 219
ILE B 281
1.04A20.19
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.
1A7Y_A_DVAA2_0
(ACTINOMYCIN D)		L-Valine4 / 4
THR B 196
PRO B 132
THR B 198
PRO B 108
1.78A2.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A 208
LEU A 262
ASP A 245
LEU A 242
THR A 201
1.27A21.41
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.
6DH0_A_017A101_2
(PROTEASE)		Darunavir3 / 3
LEU A  50
ASP A  56
ILE A  43
0.80A17.13
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.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU A 208
ALA A 211
LYS A   5
PHE A 294
THR A 292
1.52A15.15
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone5 / 12
VAL A  42
ILE A  43
GLY A  29
VAL A 148
LEU A 177
1.07A20.78
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.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLU B 240
ASP B 197
GLY B 109
GLN B 107
ILE B 200
1.52A21.25
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		Adenosine5 / 9
VAL A  42
LEU A  67
ASN A  63
VAL A  77
LEU A  89
1.59A19.85
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
THR A  35
LEU A  89
VAL A  68
LEU A  67
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU B 253
PRO B 252
ARG B 298
0.75A20.00
None
None
DMS  B 606 (-3.9A)