Structure of PDB 7h4m Chain A Binding Site BS01

Receptor Information
>7h4m 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 IDO3A
InChIInChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1
InChIKeyVZIWWLIHHFDZEO-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C(=O)[C@H]1CCNC1)c2ccccc2
OpenEye OEToolkits 2.0.6CN(c1ccccc1)C(=O)[C@H]2CCNC2
OpenEye OEToolkits 2.0.6CN(c1ccccc1)C(=O)C2CCNC2
CACTVS 3.385CN(C(=O)[CH]1CCNC1)c2ccccc2
ACDLabs 12.01N(C(C1CCNC1)=O)(c2ccccc2)C
FormulaC12 H16 N2 O
Name(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000062112029
PDB chain7h4m Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7h4m Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.42 Å
Binding residue
(original residue number in PDB)		F83 L100 T126 G128 N129 L131
Binding residue
(residue number reindexed from 1)		F77 L94 T120 G122 N123 L125
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:7h4m, PDBe:7h4m, PDBj:7h4m
PDBsum7h4m
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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