Structure of PDB 7h3z Chain A Binding Site BS01

Receptor Information
>7h3z 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 IDLQ3
InChIInChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1
InChIKeyLTVXNUWMTTYHRL-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)O[C@H]1C=CC(=O)N=C1
ACDLabs 12.01O=C1C=CC(OC(F)F)C=N1
OpenEye OEToolkits 2.0.7C1=CC(=O)N=CC1OC(F)F
CACTVS 3.385FC(F)O[CH]1C=CC(=O)N=C1
FormulaC6 H5 F2 N O2
Name(5S)-5-(difluoromethoxy)pyridin-2(5H)-one
ChEMBL
DrugBank
ZINC
PDB chain7h3z 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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PDB7h3z Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.19 Å
Binding residue
(original residue number in PDB)		S87 E88 Y89 Y90 P91
Binding residue
(residue number reindexed from 1)		S81 E82 Y83 Y84 P85
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:7h3z, PDBe:7h3z, PDBj:7h3z
PDBsum7h3z
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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