Structure of PDB 4aqr Chain A Binding Site BS03

Receptor Information
>4aqr Chain A (length=145) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLTDDQISEFKEAFSLFDKDGDGCITTKELGTVMRSLGQNPTEAELQDMI
NEVDADGNGTIDFPEFLNLMARKMKDTDSEEELKEAFRVFDKDQNGFISA
AELRHVMTNLGEKLTDEEVDEMIREADVDGDGQINYEEFVKVMMA
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 chain4aqr Chain A Residue 152 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4aqr A Bimodular Mechanism of Calcium Control in Eukaryotes
Resolution1.95 Å
Binding residue
(original residue number in PDB)
D94 D96 N98 F100 E105
Binding residue
(residue number reindexed from 1)
D91 D93 N95 F97 E102
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V36
Catalytic site (residue number reindexed from 1) V33
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005513 detection of calcium ion
GO:0010099 regulation of photomorphogenesis
GO:0050832 defense response to fungus
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:4aqr, PDBe:4aqr, PDBj:4aqr
PDBsum4aqr
PubMed23086147
UniProtP59220|CALM7_ARATH Calmodulin-7 (Gene Name=CAM7)

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