Structure of PDB 7h4q Chain A Binding Site BS01

Receptor Information
>7h4q 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 IDXGM
InChIInChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)
InChIKeyRSIPQHOWTCNEBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCC(=O)NO
FormulaC3 H7 N O2
NameN-hydroxypropanamide
ChEMBLCHEMBL4303316
DrugBank
ZINCZINC000005298729
PDB chain7h4q 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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PDB7h4q Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution2.03 Å
Binding residue
(original residue number in PDB)		E85 A86 T126 G127
Binding residue
(residue number reindexed from 1)		E79 A80 T120 G121
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:7h4q, PDBe:7h4q, PDBj:7h4q
PDBsum7h4q
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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