Structure of PDB 2col Chain A Binding Site BS01

Receptor Information
>2col Chain A (length=349) Species: 520 (Bordetella pertussis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGYANAADRESGIPAAVLDGIKAVAKEKNATLMFRLVNPHSTSLIAEGVA
TKGLGVHAKSSDWGLQAGYIPVNPNLSKLFGRAPEVIARADNDVNSSLAH
GHTAVDLTLSKERLDYLRQAGLVTGMADGVVASNHAGYEQFEFRVKETSD
GRYAVQYRRKGGDDFEAVKVIGNAAGIPLTADIDMFAIMPHLSNFRDSAR
SSVTSGDSVTDYLARTRRALDRERIDLLWKIARAGARSAVGTEARRQFRY
DGDMNIGVITDFELEVRNALNRRAHAVGAQDVVQHGTEQNNPFPEADEKI
FVVSATGESQMLTRGQLKEYIGQQRGEGYVFYENRAYGVAGKSLFDDGL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2col Chain A Residue 907 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2col Structural basis for the interaction of Bordetella pertussis adenylyl cyclase toxin with calmodulin
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D188 D190 H298
Binding residue
(residue number reindexed from 1)		D182 D184 H285
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0008294 calcium- and calmodulin-responsive adenylate cyclase activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2col, PDBe:2col, PDBj:2col
PDBsum2col
PubMed16138079
UniProtP0DKX7|CYAA_BORPE Bifunctional hemolysin/adenylate cyclase (Gene Name=cya)

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