PDB ID: 5ko3


Macromolecule:
ORF1A

Source Organism:
MERS-CoV

Gene names:
-

UniProt ID:
K9N7C7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5ko3'

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.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
ILE A 289
THR A 257
LEU A 284
VAL A 268
PHE A 263
1.34A21.70
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin3 / 3
THR A 172
HIS A  81
LEU A  86
1.15A22.17
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU A 201
LEU A 244
VAL A 212
GLY A 211
0.99A22.22
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
LEU A 133
LEU A 169
VAL A 173
ILE A 117
PHE A 148
1.19A19.92
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		L-Valine3 / 3
THR A 259
PRO A 261
THR A 257
1.10A5.56
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		Suramin3 / 3
LYS A 112
ARG A 102
VAL A  96
1.41A14.29
CME  A 111 ( 2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR A 308
PRO A 250
THR A 249
1.25A5.56
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.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR A 259
PRO A 261
THR A 257
1.04A5.56
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.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole4 / 8
ALA A 166
LEU A 170
LEU A 123
ILE A 126
1.20A23.18
None
None
None
ACT  A 407 (-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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid3 / 3
LYS A  87
ASN A 110
ASP A 147
0.91A20.72
ACT  A 402 (-2.6A)
CME  A 111 ( 4.1A)
ACT  A 405 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 12
ASN A 110
LEU A 169
VAL A 173
ILE A 117
PHE A 148
1.24A20.45
CME  A 111 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		Cholic Acid4 / 8
TYR A  84
PHE A 148
LEU A 133
ALA A 132
1.43A20.49
ACT  A 402 (-4.4A)
None
None
ACT  A 405 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LZR_A_LOCA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Colchicine4 / 8
LEU A 245
LEU A 311
ASP A 125
ILE A 126
0.92A18.60
None
None
ACT  A 407 (-4.8A)
ACT  A 407 (-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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		Adenosine3 / 3
THR A 296
ASN A 267
PHE A 266
1.43A20.32
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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
LEU A 123
ALA A 177
ILE A 152
ILE A 126
0.82A16.67
None
None
None
ACT  A 407 (-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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Acetic acid4 / 6
LEU A 133
LYS A 176
LEU A 174
LEU A 120
1.46A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 293
THR A 308
PRO A 250
1.22A16.96
ACT  A 406 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		Adenosine3 / 3
THR A 308
ASN A 114
PHE A 292
1.19A20.32
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
TYR A  72
TYR A  84
GLU A  64
1.15A24.20
None
ACT  A 402 (-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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
ALA A 136
LEU A 133
TYR A 155
LEU A 151
1.48A18.44
ACT  A 405 ( 3.6A)
None
None
ACT  A 405 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim6 / 10
LEU A 133
ALA A 154
LEU A 169
VAL A 173
ILE A 117
PHE A 148
1.32A19.77
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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril3 / 3
SER A 167
THR A 172
PHE A 148
1.13A18.51
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
MET A 185
LEU A 236
LEU A 246
GLY A 314
1.07A22.22
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		L-Valine3 / 3
THR A 257
THR A 259
PRO A 261
1.24A5.56
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
LEU A  71
TYR A  72
ALA A 136
ASP A 147
LEU A 151
1.41A19.92
None
None
ACT  A 405 ( 3.6A)
ACT  A 405 (-3.5A)
ACT  A 405 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
LEU A 170
ILE A 126
ALA A 177
ILE A 130
ALA A 132
1.29A18.18
None
ACT  A 407 (-4.3A)
None
None
ACT  A 405 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIN_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
ILE A 117
LEU A 113
MET A 153
ILE A 152
1.06A19.77
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.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
HIS A 171
LEU A 169
ILE A 149
LEU A 204
LEU A 245
1.48A22.15
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.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Voriconazole4 / 8
PHE A 148
ILE A 117
PHE A 128
LEU A 245
1.03A18.84
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 113
TYR A 112
GLY A 277
0.77A20.45
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine4 / 4
ASN A 267
SER A 103
ALA A 115
VAL A 116
1.45A21.68
None
None
CME  A 111 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine4 / 8
ILE A 289
LEU A 284
ASN A 267
SER A 247
1.28A20.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Acetic acid4 / 6
LEU A 244
GLN A 315
LEU A 236
LEU A 218
1.42A20.91
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.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		Cholic Acid5 / 12
ILE A 289
THR A 257
LEU A 284
VAL A 268
PHE A 263
1.39A21.51
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 169
TYR A 112
GLY A 277
1.31A20.45
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A 120
VAL A 116
THR A 172
LEU A 174
LEU A 133
1.27A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU A 133
LEU A 169
VAL A 173
ILE A 117
PHE A 148
1.22A19.77
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.
4G2Z_A_ID8A711_1
(LACTOTRANSFERRIN)		Mefenamic acid3 / 3
PRO A 163
TYR A 112
GLY A 277
1.15A21.59
None