Structure of PDB 7h52 Chain B Binding Site BS01

Receptor Information
>7h52 Chain B (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 IDZCI
InChIInChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyAXHRGVJWDJDYPO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Brc1[nH]ccn1
ACDLabs 12.01Brc1ncc[NH]1
OpenEye OEToolkits 2.0.7c1cnc([nH]1)Br
FormulaC3 H3 Br N2
Name2-bromo-1H-imidazole
ChEMBLCHEMBL292042
DrugBank
ZINCZINC000002577854
PDB chain7h52 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h52 Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.21 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:7h52, PDBe:7h52, PDBj:7h52
PDBsum7h52
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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