Structure of PDB 7h3e Chain A Binding Site BS02

Receptor Information
>7h3e 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 IDA1AM4
InChIInChI=1S/C8H10N2OS/c1-11-7-5-3-2-4-6(7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKeyHXCHZMHFZXNFIX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1ccccc1NC(N)=S
OpenEye OEToolkits 2.0.7COc1ccccc1NC(=S)N
FormulaC8 H10 N2 O S
NameN-(2-methoxyphenyl)thiourea
ChEMBL
DrugBank
ZINC
PDB chain7h3e 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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PDB7h3e Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.39 Å
Binding residue
(original residue number in PDB)		H104 S105 G128
Binding residue
(residue number reindexed from 1)		H98 S99 G122
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:7h3e, PDBe:7h3e, PDBj:7h3e
PDBsum7h3e
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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