Structure of PDB 8ohc Chain B Binding Site BS01

Receptor Information
>8ohc Chain B (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 IDSYV
InChIInChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKeyFPNLXQSOWBNXCN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2OC1=O)N
CACTVS 3.385CN1C(=O)Oc2cc(N)ccc12
FormulaC8 H8 N2 O2
Name6-azanyl-3-methyl-1,3-benzoxazol-2-one
ChEMBL
DrugBank
ZINCZINC000004418082
PDB chain8ohc Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ohc PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12
Resolution1.17 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:8ohc, PDBe:8ohc, PDBj:8ohc
PDBsum8ohc
PubMed
UniProtQ45589|CDAA_BACSU Cyclic di-AMP synthase CdaA (Gene Name=cdaA)

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