Structure of PDB 7h3b Chain A Binding Site BS01

Receptor Information
>7h3b 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 IDYFN
InChIInChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m0/s1
InChIKeyLMUYJJAKMZKBHS-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@]1(CC[S](=O)(=O)C1)NC(=O)C2CC2
ACDLabs 12.01O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
OpenEye OEToolkits 2.0.7C[C@@]1(CCS(=O)(=O)C1)NC(=O)C2CC2
OpenEye OEToolkits 2.0.7CC1(CCS(=O)(=O)C1)NC(=O)C2CC2
CACTVS 3.385C[C]1(CC[S](=O)(=O)C1)NC(=O)C2CC2
FormulaC9 H15 N O3 S
NameN-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
ChEMBL
DrugBank
ZINCZINC000042370297
PDB chain7h3b 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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PDB7h3b Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
Resolution1.09 Å
Binding residue
(original residue number in PDB)		S80 H97
Binding residue
(residue number reindexed from 1)		S74 H91
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:7h3b, PDBe:7h3b, PDBj:7h3b
PDBsum7h3b
PubMed
UniProtQ65900|POLG_CX16G Genome polyprotein

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