PDB ID: 3szn


Macromolecule:
3C-LIKE PROTEINASE


Source Organism:
SARSr-CoV


Gene names:
-


UniProt ID:
P0C6U8

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

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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
Tamibarotene5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.45A19.54
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)
Levomefolic acid5 / 11
ILE A 259
LEU A 242
LEU A 253
GLY A 251
ALA A 206
1.54A20.96
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.
4B3O_A_EFZA1557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)
Efavirenz5 / 9
LEU A  86
VAL A  20
TYR A  37
GLY A  29
LEU A  87
1.63A19.06
None