Structure of PDB 7h4d Chain A Binding Site BS01

Receptor Information
>7h4d 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 IDA1ANB
InChIInChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14)
InChIKeyXXCOYYOVKYXTIE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)NC(=O)CO)C
CACTVS 3.385Cc1cc(C)c(NC(=O)CO)c(C)c1
ACDLabs 12.01O=C(Nc1c(C)cc(C)cc1C)CO
FormulaC11 H15 N O2
Name2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
ChEMBL
DrugBank
ZINC
PDB chain7h4d 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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PDB7h4d Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.94 Å
Binding residue
(original residue number in PDB)		E85 A86 E106 P107 C110 S125 T126 G127
Binding residue
(residue number reindexed from 1)		E79 A80 E100 P101 C104 S119 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:7h4d, PDBe:7h4d, PDBj:7h4d
PDBsum7h4d
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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