Structure of PDB 4oec Chain D Binding Site BS01

Receptor Information
>4oec Chain D (length=248) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWERDRVIVLGHRGYMSNYPENTLLAFRKAVEAGADGIELDVWLTKDGRV
VVMHDETIDRTSNMKGRQKDMTLEELKKADVGQGERIPTLEEVFEAIPRN
ALVNVELKDRDAAREVAEIVAENNPERVMISSFDIDALREYRKYDDETTM
GLLIDREEVVPLIPKLKDELNLWSVNVPMEAIPLIGLEKTLQALHWVRSL
GLKVVLWTENDVLFYKDDNLAKLKGLFEVVIANDVVRMIEYLKKLGLR
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 chain4oec Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oec Crystal structure of glycerophosphodiester phosphodiesterase from Thermococcus kodakarensis KOD1
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E39 D41 E106
Binding residue
(residue number reindexed from 1)		E39 D41 E106
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H12 R13 E39 D41 H54 E106 K108 N233
Catalytic site (residue number reindexed from 1) H12 R13 E39 D41 H54 E106 K108 N233
Enzyme Commision number 3.1.4.46: glycerophosphodiester phosphodiesterase.
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4oec, PDBe:4oec, PDBj:4oec
PDBsum4oec
PubMed
UniProtQ5JGZ3

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