Structure of PDB 7h2z Chain A Binding Site BS01

Receptor Information
>7h2z 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 IDRY4
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
InChIKeyIZJVPNBRAKIMBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(CN)cc1
ACDLabs 12.01N(S(C)(=O)=O)c1ccc(cc1)CN
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1ccc(cc1)CN
FormulaC8 H12 N2 O2 S
NameN-[4-(aminomethyl)phenyl]methanesulfonamide
ChEMBL
DrugBank
ZINCZINC000001494962
PDB chain7h2z 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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PDB7h2z Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.04 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:7h2z, PDBe:7h2z, PDBj:7h2z
PDBsum7h2z
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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