Structure of PDB 7h4f Chain A Binding Site BS01

Receptor Information
>7h4f 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 IDGWG
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)
InChIKeyPVROETJHCUDAFG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1nc(C(N)=O)c2ccccc12
OpenEye OEToolkits 2.0.6Cn1c2ccccc2c(n1)C(=O)N
FormulaC9 H9 N3 O
Name1-methylindazole-3-carboxamide
ChEMBLCHEMBL4554218
DrugBank
ZINCZINC000095348295
PDB chain7h4f 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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PDB7h4f Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.49 Å
Binding residue
(original residue number in PDB)		S87 S105 E106 S125 T126 G127 G128
Binding residue
(residue number reindexed from 1)		S81 S99 E100 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:7h4f, PDBe:7h4f, PDBj:7h4f
PDBsum7h4f
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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