Structure of PDB 7h3s Chain A Binding Site BS01

Receptor Information
>7h3s 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 IDYG5
InChIInChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
InChIKeyAOLISVCNSODKGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CN(C)C(=O)Cn1ncc2ccccc21
CACTVS 3.385CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7CN(C)C(=O)Cn1c2ccccc2cn1
FormulaC11 H13 N3 O
Name2-(1H-indazol-1-yl)-N,N-dimethylacetamide
ChEMBLCHEMBL4540215
DrugBank
ZINCZINC000096404712
PDB chain7h3s 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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PDB7h3s Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.24 Å
Binding residue
(original residue number in PDB)		W33 W142
Binding residue
(residue number reindexed from 1)		W27 W136
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:7h3s, PDBe:7h3s, PDBj:7h3s
PDBsum7h3s
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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