Structure of PDB 6k90 Chain A Binding Site BS03

Receptor Information

>6k90 Chain A (length=295) Species: 981087 (Leishmania donovani BPK282A1)

DKHVLSIQSHVTHGYVGNKAATFPLQLHGFDVDAINTVSLSNHSGYPVIK
GHRMDLEEFTTIMEGLRANDFLSDYAYVLTGYINNRDIVRQVAATVAEIR
EARQKQGKKDAVFFCDPVMGDDGRLYCKEEVVEAYRELLTHADVATPNYF
EASILSTVEVKDLASAIEAANWFHTQGTPTVVIKSFADDPTHLRFLLSCR
DTGSTKRYTGVVPYHEGRYTGTGDVFAASLVAFAHSDPMDLAVGKAMGVL
QDLIKATIERGGSGKATLSSRELRVTSYPDRLQHPSSVALVTPLP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6k90 Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k90 Structural attributes and substrate specificity of pyridoxal kinase from Leishmania donovani.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D124 Y226
• Binding residue (residue number reindexed from 1): D121 Y219
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.35: pyridoxal kinase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008478 pyridoxal 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:6k90, PDBe:6k90, PDBj:6k90
• PDBsum: 6k90
• PubMed: 32105687
• UniProt: A0A3S7X3C0