Structure of PDB 7h3p Chain A Binding Site BS01

Receptor Information
>7h3p Chain A (length=140) Species: 31704 (Coxsackievirus A16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARC
DCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSE
PGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEE
Ligand information
Ligand IDLFO
InChIInChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)
InChIKeyOHXYWSIWHXTWCT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1cn(c2c1cccc2)C
CACTVS 3.385CNC(=O)c1cn(C)c2ccccc12
ACDLabs 12.01CNC(=O)c1cn(C)c2ccccc21
FormulaC11 H12 N2 O
NameN,1-dimethyl-1H-indole-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000004054174
PDB chain7h3p Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h3p Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S87 Y89 S105 S125 T126 G127 G128
Binding residue
(residue number reindexed from 1)		S81 Y83 S99 S119 T120 G121 G122
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0016032 viral process

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Molecular Function
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Biological Process
External links
PDB RCSB:7h3p, PDBe:7h3p, PDBj:7h3p
PDBsum7h3p
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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