Structure of PDB 1exr Chain A Binding Site BS01

Receptor Information
>1exr Chain A (length=146) Species: 5888 (Paramecium tetraurelia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQLTEEQIAEFKEAFALFDKDGDGTITTKELGTVMRSLGQNPTEAELQDM
INEVDADGNGTIDFPEFLSLMARKMKEQDSEEELIEAFKVFDRDGNGLIS
AAELRHVMTNLGEKLTDDEVDEMIREADIDGDGHINYEEFVRMMVS
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 chain1exr Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1exr The 1.0 A crystal structure of Ca(2+)-bound calmodulin: an analysis of disorder and implications for functionally relevant plasticity
Resolution1.0 Å
Binding residue
(original residue number in PDB)		D20 D22 D24 T26 E31
Binding residue
(residue number reindexed from 1)		D19 D21 D23 T25 E30
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V35
Catalytic site (residue number reindexed from 1) V34
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0030234 enzyme regulator activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1exr, PDBe:1exr, PDBj:1exr
PDBsum1exr
PubMed10966818
UniProtP07463|CALM_PARTE Calmodulin (Gene Name=CAM)

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