Structure of PDB 3ifk Chain A Binding Site BS02

Receptor Information
>3ifk Chain A (length=87) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMI
NEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAF
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 chain3ifk Chain A Residue 92 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ifk Thermodynamics and conformational change governing domain-domain interactions of calmodulin.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		D56 D58 N60 T62 E67
Binding residue
(residue number reindexed from 1)		D54 D56 N58 T60 E65
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:3ifk, PDBe:3ifk, PDBj:3ifk
PDBsum3ifk
PubMed21609874
UniProtP0DP29|CALM1_RAT Calmodulin-1 (Gene Name=Calm1)

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