Structure of PDB 7h3o Chain A Binding Site BS01

Receptor Information
>7h3o 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 IDWJ7
InChIInChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
InChIKeyCGUIJOTZYHWBSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)C(=O)c1ccc(cc1Br)F
ACDLabs 12.01c1cc(cc(Br)c1C(N(C)C)=O)F
CACTVS 3.385CN(C)C(=O)c1ccc(F)cc1Br
FormulaC9 H9 Br F N O
Name2-bromo-4-fluoro-N,N-dimethylbenzamide
ChEMBLCHEMBL4965702
DrugBank
ZINCZINC000019422048
PDB chain7h3o 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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PDB7h3o Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.61 Å
Binding residue
(original residue number in PDB)		S105 E106 P107 T126 G127
Binding residue
(residue number reindexed from 1)		S99 E100 P101 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:7h3o, PDBe:7h3o, PDBj:7h3o
PDBsum7h3o
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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