Structure of PDB 7h3a Chain A Binding Site BS02

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 202 [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)		S87 E88 S105 E106 P107 C110 T126 G127
Binding residue
(residue number reindexed from 1)		S81 E82 S99 E100 P101 C104 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:7h3a, PDBe:7h3a, PDBj:7h3a
PDBsum7h3a
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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