Structure of PDB 8gyx Chain B Binding Site BS01

Receptor Information
>8gyx Chain B (length=380) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGCVLNKLFQLPTPPLSRHQLKRLEEHRYQSAGRSLLEPLMQGYWEWLVR
RVPSWIAPNLITIIGLSINICTTILLVFYCPTATEQAPLWAYIACACGLF
IYQSLDAIDGKQARRTNSSSPLGELFDHGCDSLSTVFVVLGTCIAVQLGT
NPDWMFFCCFAGTFMFYCAHWQTYVSGTLRFGIIDVTEVQIFIIIMHLLA
VIGGPPFWQSMIPVLNIQMKIFPALCTVAGTIFSCTNYFRVIFTGGVGKN
GSTIAGTSVLSPFLHIGSVITLAAMIYKKSAVQLFEKHPCLYILTFGFVS
AKITNKLVVAHMTKSEMHLHDTAFIGPALLFLDQYFNSFIDEYIVLWIAL
VFSFFDLIRYCVSVCNQIASHLHIHVFRIK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8gyx Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8gyx Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		D133 D136 D154
Binding residue
(residue number reindexed from 1)		D106 D109 D127
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.8.1: ethanolaminephosphotransferase.
2.7.8.2: diacylglycerol cholinephosphotransferase.
2.7.8.22: 1-alkenyl-2-acylglycerol choline phosphotransferase.
Gene Ontology
Molecular Function
GO:0004142 diacylglycerol cholinephosphotransferase activity
GO:0004307 ethanolaminephosphotransferase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0016780 phosphotransferase activity, for other substituted phosphate groups
GO:0046872 metal ion binding
GO:0047359 1-alkenyl-2-acylglycerol choline phosphotransferase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0006646 phosphatidylethanolamine biosynthetic process
GO:0006656 phosphatidylcholine biosynthetic process
GO:0006657 CDP-choline pathway
GO:0008654 phospholipid biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane
GO:0031965 nuclear membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gyx, PDBe:8gyx, PDBj:8gyx
PDBsum8gyx
PubMed37137909
UniProtQ9Y6K0|CEPT1_HUMAN Choline/ethanolaminephosphotransferase 1 (Gene Name=CEPT1)

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