Structure of PDB 5e1p Chain A Binding Site BS03

Receptor Information
>5e1p 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 chain5e1p Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e1p Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Resolution1.01 Å
Binding residue
(original residue number in PDB)		D129 D131 D133 H135 E140
Binding residue
(residue number reindexed from 1)		D128 D130 D132 H134 E139
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:5e1p, PDBe:5e1p, PDBj:5e1p
PDBsum5e1p
PubMed26894537
UniProtP07463|CALM_PARTE Calmodulin (Gene Name=CAM)

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