Structure of PDB 2col Chain A Binding Site BS02

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 908 [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 I189 V296 Q297 H298
Binding residue
(residue number reindexed from 1)		D182 I183 V283 Q284 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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