Structure of PDB 7h3u Chain A Binding Site BS01

Receptor Information
>7h3u 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 IDK4R
InChIInChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
InChIKeyREHRQXVEAXFIML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N#Cc1n[NH]c2ccccc21
CACTVS 3.385N#Cc1n[nH]c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(n[nH]2)C#N
FormulaC8 H5 N3
Name1H-indazole-3-carbonitrile
ChEMBL
DrugBank
ZINC
PDB chain7h3u 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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PDB7h3u Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.31 Å
Binding residue
(original residue number in PDB)		H71 R115
Binding residue
(residue number reindexed from 1)		H65 R109
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:7h3u, PDBe:7h3u, PDBj:7h3u
PDBsum7h3u
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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