Structure of PDB 1zot Chain B Binding Site BS02

Receptor Information
>1zot Chain B (length=69) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREA
DIDGDGQVNYEEFVQMMTA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1zot Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zot Structural basis for the interaction of Bordetella pertussis adenylyl cyclase toxin with calmodulin.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D93 D95 N97 Y99 E104
Binding residue
(residue number reindexed from 1)		D15 D17 N19 Y21 E26
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:1zot, PDBe:1zot, PDBj:1zot
PDBsum1zot
PubMed16138079
UniProtP0DP23|CALM1_HUMAN Calmodulin-1 (Gene Name=CALM1)

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