Structure of PDB 2aao Chain A Binding Site BS01

Receptor Information
>2aao Chain A (length=147) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKFKKMALRVIAESLSEEEIAGLKEMFNMIDADKSGQITFEELKAGLKR
VGANLKESEILDLMQAADVDNSGTIDYKEFIAATLHLNKIEREDHLFAAF
TYFDKDGSGYITPDELQQACEEEELMRDVDQDNDGRIDYNEFVAMMQ
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 chain2aao Chain A Residue 293 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aao Structure of the regulatory apparatus of a calcium-dependent protein kinase (CDPK): a novel mode of calmodulin-target recognition.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D37 D39 S41 Q43 E48
Binding residue
(residue number reindexed from 1)		D32 D34 S36 Q38 E43
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G52
Catalytic site (residue number reindexed from 1) G47
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:2aao, PDBe:2aao, PDBj:2aao
PDBsum2aao
PubMed16430916
UniProtQ06850|CDPK1_ARATH Calcium-dependent protein kinase 1 (Gene Name=CPK1)

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