Structure of PDB 8ohg Chain A Binding Site BS01

Receptor Information
>8ohg Chain A (length=150) 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]
TPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNA
KVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGT
RHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAE
Ligand information
Ligand IDUI4
InChIInChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H
InChIKeyVQHMPVXKDCHHSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2ccccn2
OpenEye OEToolkits 2.0.7c1ccnc(c1)c2ccc(cc2)O
FormulaC11 H9 N O
Name4-pyridin-2-ylphenol
ChEMBL
DrugBank
ZINC
PDB chain8ohg 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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PDB8ohg PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09
Resolution1.25 Å
Binding residue
(original residue number in PDB)		I128 I164 P165
Binding residue
(residue number reindexed from 1)		I26 I62 P63
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:8ohg, PDBe:8ohg, PDBj:8ohg
PDBsum8ohg
PubMed
UniProtQ45589|CDAA_BACSU Cyclic di-AMP synthase CdaA (Gene Name=cdaA)

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