Structure of PDB 4q57 Chain A Binding Site BS01

Receptor Information
>4q57 Chain A (length=65) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDAD
GNGTIDFPEFLTMMA
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 chain4q57 Chain A Residue 101 [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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PDB4q57 Crystal structure of the plectin 1a actin-binding domain/N-terminal domain of calmodulin complex
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D20 D22 D24 T26 E31
Binding residue
(residue number reindexed from 1)		D12 D14 D16 T18 E23
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:4q57, PDBe:4q57, PDBj:4q57
PDBsum4q57
PubMed
UniProtP0DP23|CALM1_HUMAN Calmodulin-1 (Gene Name=CALM1)

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