Structure of PDB 1yru Chain B Binding Site BS01

Receptor Information
>1yru 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 chain1yru Chain B Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1yru Structural basis for the interaction of Bordetella pertussis adenylyl cyclase toxin with calmodulin
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D129 D131 D133 Q135 E140
Binding residue
(residue number reindexed from 1)		D51 D53 D55 Q57 E62
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:1yru, PDBe:1yru, PDBj:1yru
PDBsum1yru
PubMed16138079
UniProtP0DP23|CALM1_HUMAN Calmodulin-1 (Gene Name=CALM1)

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