Structure of PDB 5zw9 Chain A Binding Site BS01

Receptor Information

>5zw9 Chain A (length=266) Species: 28901 (Salmonella enterica)

HRALQTDIVAVQSQVVYGSVGNSIAVPAIKAQGLRVTAVPTVLFSNTPHY
KTFYGGIIPAEWFAGYLTALNERDALRELKAITTGYMGSADQIVLLSKWL
MAIRASHPEVCILVDPVIGDTDSGMYVQAEIPQAYRTHLLPQAQGLTPNV
FELEMLSGKPCRTLEEAVAAAQSLLSDTLKWVVITSAPGESLETITVAVV
TAQVVEVFAHPRTELKGTGDLFCAELVSGIVQGKKLTTAAKDAAQRVLEV
MTWTQQCGCDELILPP

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: 5zw9 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zw9 Structural and functional studies on Salmonella typhimurium pyridoxal kinase: the first structural evidence for the formation of Schiff base with the substrate.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): K233 G234 G236 D237
• Binding residue (residue number reindexed from 1): K216 G217 G219 D220
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.35: pyridoxal kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0005524 ATP binding
• GO:0008270 zinc ion binding
• GO:0008478 pyridoxal kinase activity
• GO:0008902 hydroxymethylpyrimidine kinase activity
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009443 pyridoxal 5'-phosphate salvage
• GO:0016310 phosphorylation
• GO:0042816 vitamin B6 metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:5zw9, PDBe:5zw9, PDBj:5zw9
• PDBsum: 5zw9
• PubMed: 31116912
• UniProt: A0A0F7J8S0