PDB ID: 3v3m


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3v3m'

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.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil4 / 8
GLY A 215
GLN A 306
ILE A 213
VAL A 212
1.09A20.94
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		Ethopropazine4 / 8
GLY A 215
GLN A 306
THR A 304
PHE A 219
1.02A21.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.27A21.49
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.
4J7X_B_SASB804_2
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine3 / 3
LEU A 177
MET A 162
ASP A 153
1.11A23.87
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
LYS A   5
ASP A 295
GLN A 127
GLU A 288
1.69A18.24
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.
4E1V_F_URFF1301_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil4 / 6
GLY A 215
GLN A 306
ILE A 213
VAL A 212
1.13A21.45
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.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib4 / 5
LEU A 271
VAL A 212
VAL A 261
ARG A 298
1.49A22.13
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A 144
TYR A 161
GLY A 124
TYR A 126
HIS A 172
1.55A24.01
0EN  A 401 (-3.4A)
None
None
None
0EN  A 401 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		Liothyronine4 / 6
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.29A16.45
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.63A20.63
0EN  A 401 (-3.6A)
None
0EN  A 401 (-4.0A)
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.
3KVV_A_URFA254_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil4 / 6
GLY A 215
GLN A 306
ILE A 213
VAL A 212
1.15A20.94
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.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.32A15.69
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.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY A 120
GLY A 146
PHE A 140
ALA A 116
SER A 113
1.35A23.47
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		Tolcapone4 / 6
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.34A19.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.29A21.43
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.
4Z2D_F_LFXF102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		Levofloxacin3 / 4
ARG A  88
GLY A 179
GLU A 178
1.03A20.49
20.44
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 136
GLY A 109
THR A 292
PHE A 294
ILE A 106
1.51A24.32
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.28A19.12
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.
3RHW_A_IVMA348_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
1.51A24.32
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.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.27A21.49
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.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		Liothyronine4 / 8
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.30A16.45
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.30A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.59A23.66
0EN  A 401 (-3.6A)
None
0EN  A 401 (-4.0A)
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		Tiopronin4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.48A19.59
0EN  A 401 (-3.6A)
0EN  A 401 (-3.3A)
None
0EN  A 401 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.29A19.12
None