Structure of PDB 8oh1 Chain A Binding Site BS01

Receptor Information
>8oh1 Chain A (length=151) 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
E
Ligand information
Ligand IDVNV
InChIInChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyHLOHVVZZMMMDMM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(on2)N
CACTVS 3.385Nc1onc(c1)c2ccccc2
FormulaC9 H8 N2 O
Name3-phenyl-1,2-oxazol-5-amine
ChEMBL
DrugBank
ZINC
PDB chain8oh1 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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PDB8oh1 PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04
Resolution1.22 Å
Binding residue
(original residue number in PDB)		I164 P165
Binding residue
(residue number reindexed from 1)		I63 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:8oh1, PDBe:8oh1, PDBj:8oh1
PDBsum8oh1
PubMed
UniProtQ45589|CDAA_BACSU Cyclic di-AMP synthase CdaA (Gene Name=cdaA)

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