Structure of PDB 8ogu Chain A Binding Site BS01

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 301 [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)		N121 L240 T241 E242 L245
Binding residue
(residue number reindexed from 1)		N20 L139 T140 E141 L144
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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