Structure of PDB 7h48 Chain A Binding Site BS01

Receptor Information
>7h48 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 IDRZJ
InChIInChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)
InChIKeyOUJFDUTZTPBMDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1CCCc2c1cc(cc2)S(=O)(=O)N
CACTVS 3.385CN1CCCc2ccc(cc12)[S](N)(=O)=O
FormulaC10 H14 N2 O2 S
Name1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
ChEMBL
DrugBank
ZINCZINC000074941908
PDB chain7h48 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7h48 Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.23 Å
Binding residue
(original residue number in PDB)		P79 S80 S96
Binding residue
(residue number reindexed from 1)		P73 S74 S90
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7h48, PDBe:7h48, PDBj:7h48
PDBsum7h48
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

[Back to BioLiP]