PDB ID: 2gx4


Macromolecule:
3C-LIKE PROTEINASE


Source Organism:
SARSr-CoV


Gene names:
-


UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2gx4'

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.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)
Rifampicin3 / 3
PHE A 305
ASP A 216
LEU A 253
0.82A13.38
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)
Saquinavir5 / 12
ARG A 131
GLY A 174
ASP A 176
GLY A 149
VAL A 114
1.08A17.67
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)
Tretinoin5 / 10
LEU A 271
ALA A 267
MET A 264
LEU A 205
ASP A 216
1.62A19.08
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)
S-Adenosylmethionine4 / 5
GLY A 179
ARG A  40
ASP A 176
GLN A 107
1.21A22.47
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)
Rifampicin3 / 3
PHE A 305
ASP A 216
LEU A 253
0.86A13.38
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)
Raltitrexed5 / 12
ILE A 281
TRP A 218
ASN A 277
LEU A 287
TYR A 237
1.65A20.67
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)
Pantothenic acid5 / 12
THR A 257
GLY A 215
ASP A 216
ARG A 217
ILE A 259
1.60A22.91
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.34A20.13
22.80
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.
5CZ7_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 11
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.31A20.13
22.80
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)
Dalfampridine4 / 8
GLY A  11
LYS A  12
GLY A  15
LEU A  30
1.07A22.51
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.
6HWD_H_BO2H301_0
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.48A20.13
22.80
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
Bosutinib5 / 12
LEU A 205
ILE A 213
THR A 257
LEU A 220
ASP A 216
1.32A24.33
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.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
Amphetamine4 / 5
LEU A 232
ASP A 229
PRO A 241
ALA A 234
1.71A18.37
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.
4QVY_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.33A20.13
22.80
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.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)
Indinavir3 / 3
ARG A  76
VAL A  20
GLY A  23
0.92A15.62
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.31A20.13
22.80
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)
Pantothenic acid5 / 10
THR A 257
GLY A 215
ASP A 216
ARG A 217
ILE A 259
1.56A22.91
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.
6HWD_V_BO2V301_0
(PROTEASOME SUBUNIT
BETA TYPE-2)
Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.48A20.13
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.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)
Acetic acid3 / 3
VAL A  77
LEU A  89
VAL A  68
0.63A20.52
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
THR A 224
LEU A 271
ASP A 216
VAL A 212
ALA A 260
1.41A21.68
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)
Ibrutinib6 / 12
GLY A 215
MET A 264
LEU A 250
LEU A 253
LEU A 220
ILE A 259
1.41A19.80
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.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)
Spermine5 / 11
LEU A 287
ALA A 267
LEU A 220
MET A 264
ASP A 216
1.61A20.58
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.
4QVP_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.33A20.13
22.80
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)
Doxercalciferol3 / 3
VAL A  20
LEU A  27
GLY A 146
0.74A21.31
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)
Pantothenic acid5 / 11
GLY A 215
ASP A 216
ARG A 217
ILE A 259
THR A 257
1.53A22.91
None