Structure of PDB 6iie Chain A Binding Site BS03

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 IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain6iie Chain A Residue 204 [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)		Q141 Y148
Binding residue
(residue number reindexed from 1)		Q31 Y38
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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