Structure of PDB 7h4o Chain A Binding Site BS01

Receptor Information
>7h4o Chain A (length=138) Species: 31704 (Coxsackievirus A16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARC
DCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSE
PGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLD
Ligand information
Ligand IDHHT
InChIInChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyRNRCAQYXOAHKGD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(Br)ccc1CC(O)=O
OpenEye OEToolkits 2.0.6COc1cc(ccc1CC(=O)O)Br
FormulaC9 H9 Br O3
Name2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
ChEMBL
DrugBank
ZINCZINC000079362741
PDB chain7h4o 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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PDB7h4o Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H21 Y89 E106 P107 C110 T126 G127 G128
Binding residue
(residue number reindexed from 1)		H15 Y83 E100 P101 C104 T120 G121 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:7h4o, PDBe:7h4o, PDBj:7h4o
PDBsum7h4o
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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