Structure of PDB 8ghh Chain A Binding Site BS01

Receptor Information

>8ghh Chain A (length=276) Species: 1280 (Staphylococcus aureus)

TIPAFFKGNAPYIFAHRGGMALRPEQTQLAFDYAKQLGVDGFETDVRLTK
DQQLIVFHDATVDRTTNGSGKVSAHTLAELKKLDAAYHFKDINGLTPYRG
HAHTAILTFDELLKQYPDMYINVDLKDAPESYEGSIAPQIMFDTIAENQA
FDRVLVTSFYKEQIVRFNKIAQGSVAIGASQQEVTEAFLKYHLLGGRYYQ
PLAQTFQMPTHFKGIDLTSSRFIKWLNDMNIIPGYYGVNSINLMNDLYQK
GAHTIVTDRPDLAQQFKQTIPNKLEH

Ligand information

• Ligand ID: 2HP
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: OP(=O)(O)[O-]
  ACDLabs 10.04: [O-]P(=O)(O)O
  CACTVS 3.341: O[P](O)([O-])=O
• Formula: H2 O4 P
• Name: DIHYDROGENPHOSPHATE ION
• DrugBank: DB02831
• PDB chain: 8ghh Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ghh Lysophosphatidylglycerol (LPG) phospholipase D maintains membrane homeostasis in Staphylococcus aureus by converting LPG to lysophosphatidic acid.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): H51 R52 E78 D80 K161
• Binding residue (residue number reindexed from 1): H16 R17 E43 D45 K126
• Annotation score: 1

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

External links

• PDB: RCSB:8ghh, PDBe:8ghh, PDBj:8ghh
• PDBsum: 8ghh
• PubMed: 37236358
• UniProt: A0A0D6HT57