Structure of PDB 5h9d Chain B Binding Site BS02

Receptor Information

>5h9d Chain B (length=318) Species: 1280 (Staphylococcus aureus)

AKLNMNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILS
SQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKW
DQTTAILTGNFLLALGLEHLMAVKDNRVHQLISESIVDVCRGELFQFQDQ
FNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYI
GMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNPDFKLK
IEQLRRDSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDG
HPKSLLLSLTKKMGSRNT

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 5h9d Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5h9d Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
• Resolution: 2.68 Å
• Binding residue (original residue number in PDB): G40 K41 H75
• Binding residue (residue number reindexed from 1): G39 K40 H74
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.30: heptaprenyl diphosphate synthase.

Gene Ontology

Molecular Function

• GO:0000010 heptaprenyl diphosphate synthase activity
• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:5h9d, PDBe:5h9d, PDBj:5h9d
• PDBsum: 5h9d
• PubMed: 27457559
• UniProt: Q2FYG6