Structure of PDB 8ghh Chain A Binding Site BS03

Receptor Information
>8ghh Chain A (length=276) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIPAFFKGNAPYIFAHRGGMALRPEQTQLAFDYAKQLGVDGFETDVRLTK
DQQLIVFHDATVDRTTNGSGKVSAHTLAELKKLDAAYHFKDINGLTPYRG
HAHTAILTFDELLKQYPDMYINVDLKDAPESYEGSIAPQIMFDTIAENQA
FDRVLVTSFYKEQIVRFNKIAQGSVAIGASQQEVTEAFLKYHLLGGRYYQ
PLAQTFQMPTHFKGIDLTSSRFIKWLNDMNIIPGYYGVNSINLMNDLYQK
GAHTIVTDRPDLAQQFKQTIPNKLEH
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 chain8ghh Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ghh Lysophosphatidylglycerol (LPG) phospholipase D maintains membrane homeostasis in Staphylococcus aureus by converting LPG to lysophosphatidic acid.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H123 R134
Binding residue
(residue number reindexed from 1)		H88 R99
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.4.46: glycerophosphodiester phosphodiesterase.
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0008889 glycerophosphodiester phosphodiesterase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ghh, PDBe:8ghh, PDBj:8ghh
PDBsum8ghh
PubMed37236358
UniProtA0A0D6HT57

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