Structure of PDB 7h3a Chain A Binding Site BS03

Receptor Information
>7h3a Chain A (length=139) Species: 31704 (Coxsackievirus A16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARC
DCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSE
PGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDE
Ligand information
Ligand IDSTV
InChIInChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
InChIKeyUKPLBUIFSDRLEZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[S](=O)(=O)NCc1ccc2OCOc2c1
OpenEye OEToolkits 2.0.6CCS(=O)(=O)NCc1ccc2c(c1)OCO2
FormulaC10 H13 N O4 S
Name~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
ChEMBL
DrugBank
ZINCZINC000000054604
PDB chain7h3a Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h3a Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.36 Å
Binding residue
(original residue number in PDB)		L22 A23 H25 W28
Binding residue
(residue number reindexed from 1)		L16 A17 H19 W22
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:7h3a, PDBe:7h3a, PDBj:7h3a
PDBsum7h3a
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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