Structure of PDB 8u9e Chain B Binding Site BS01

Receptor Information

>8u9e Chain B (length=249) Species: 1280 (Staphylococcus aureus)

MQKGGVIMDVVNAEQARIAEEAGAVAVMALEAAGGVARMANPKIVEEVMN
AVSIPVMAKARIGHITEARVLEAMGVDYIDESEVLTPADEEYHLRKDQFT
VPFVCGCRNLGEAARRIGEGAAMLRTKGEPGTGNIVEAVRHMRQVNSEVS
RLTVMNDDEIMTFAKDIGAPYEILKQIKDNGRLPVVNFAAGGVATPQDAA
LMMELGADGVFVGSGIFKSEDPEKFAKAIVQATTHYQDYELIGRLASEL

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: 8u9e Chain B Residue 307

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u9e Structure and dynamics of the staphylococcal pyridoxal 5-phosphate synthase complex reveal transient interactions at the enzyme interface.
• Resolution: 3.02 Å
• Binding residue (original residue number in PDB): E135 R138 R139
• Binding residue (residue number reindexed from 1): E112 R115 R116
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity
• GO:0016829 lyase activity
• GO:0016843 amine-lyase activity
• GO:0036381 pyridoxal 5'-phosphate synthase (glutamine hydrolysing) activity

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0006541 glutamine metabolic process
• GO:0008615 pyridoxine biosynthetic process
• GO:0042823 pyridoxal phosphate biosynthetic process

External links

• PDB: RCSB:8u9e, PDBe:8u9e, PDBj:8u9e
• PDBsum: 8u9e
• PubMed: 38782204
• UniProt: A0A0D1HGG1