Structure of PDB 4rjd Chain A Binding Site BS02

Receptor Information
>4rjd Chain A (length=66) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADID
GDGQVNYEEFVQMMTA
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 chain4rjd Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rjd Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D93 D95 N97 Y99 E104
Binding residue
(residue number reindexed from 1)		D12 D14 N16 Y18 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:4rjd, PDBe:4rjd, PDBj:4rjd
PDBsum4rjd
PubMed25694384
UniProtP0DP29|CALM1_RAT Calmodulin-1 (Gene Name=Calm1)

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