Structure of PDB 3zs7 Chain A Binding Site BS01

Receptor Information

>3zs7 Chain A (length=277) Species: 185431 (Trypanosoma brucei brucei TREU927)

MSEKTVLSIQSFVTHGYVGNKAATFPLQLHGFDVDGINTVCLSNHSGYPV
IRGHRMSLQEYDELMEGVRANNFLSNYRYILTGYINNVDIIGRIRDTLKE
VRELREKEDKKLTFICDPVMKEVLDAYRELVPLADIVTPNYFEASLLSGV
TVNDLSSAILAADWFHNCGVAHVIIKSFRNPTHLRFLYSVKEGSEAAVRR
FSGVVPYHEGRYTGTGDVFAACLLAFSHSHPMDVAIGKSMAVLQELIIAT
RKSRELRVVASPQVVLQPSTVVDVKPI

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: 3zs7 Chain A Residue 1300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zs7 Chemical, Genetic and Structural Assessment of Pyridoxal Kinase as a Drug Target in the African Trypanosome.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H242 Q289
• Binding residue (residue number reindexed from 1): H230 Q267
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.35: pyridoxal kinase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0008478 pyridoxal kinase activity
• GO:0016301 kinase activity

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:3zs7, PDBe:3zs7, PDBj:3zs7
• PDBsum: 3zs7
• PubMed: 22857512
• UniProt: O15927