Structure of PDB 6iie Chain A Binding Site BS02

Receptor Information
>6iie Chain A (length=87) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEDKLEFTFKLYDTDRNGILDSSEVDKIILQMMRVAEYLDWDVSELRPIL
QEMMKEIDYDGSGSVSQAEWVRAGATTVPLLVLLGLE
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 chain6iie Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6iie Crystal structure and calcium-induced conformational changes of diacylglycerol kinase alpha EF-hand domains.
Resolution2.142 Å
Binding residue
(original residue number in PDB)		D168 D170 S172 S174 E179
Binding residue
(residue number reindexed from 1)		D58 D60 S62 S64 E69
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.107: diacylglycerol kinase (ATP).
2.7.1.93: alkylglycerol kinase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:6iie, PDBe:6iie, PDBj:6iie
PDBsum6iie
PubMed30653270
UniProtP23743|DGKA_HUMAN Diacylglycerol kinase alpha (Gene Name=DGKA)

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