Structure of PDB 8ogu Chain A Binding Site BS02

Receptor Information
>8ogu Chain A (length=153) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLN
AKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELG
TRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEA
EFK
Ligand information
Ligand IDVN9
InChIInChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChIKeyTZOYXRMEFDYWDQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1CCc2ccccc2N1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCC(=O)N2
FormulaC9 H9 N O
Name3,4-dihydro-1~{H}-quinolin-2-one
ChEMBL
DrugBank
ZINC
PDB chain8ogu Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ogu PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07
Resolution1.41 Å
Binding residue
(original residue number in PDB)		R126 I128 P165
Binding residue
(residue number reindexed from 1)		R25 I27 P64
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.85: diadenylate cyclase.
Gene Ontology
Molecular Function
GO:0004016 adenylate cyclase activity
Biological Process
GO:0006171 cAMP biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8ogu, PDBe:8ogu, PDBj:8ogu
PDBsum8ogu
PubMed
UniProtQ45589|CDAA_BACSU Cyclic di-AMP synthase CdaA (Gene Name=cdaA)

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