Structure of PDB 4s1h Chain A Binding Site BS02

Receptor Information

>4s1h Chain A (length=287) Species: 5759 (Entamoeba histolytica)

MTNKVLTISSYVCSGFVGNRCGMIILDSFQIQSIFVLTTHLANHTGYPVV
GGSGVLLNDFISIMDSLEVNHLDKDIEFLVTGYFPSSDLVYETINRVKRI
KDNKKVYFLCDPILGDNGKMYTKSEVQDSMKELIKYADIITPNATELSFL
TGLEVNSVSEAIKACHILHEQGIPVILVTSIKEGNDIILLCSFKDTLNNK
NFTIKIPRIEGDFTGVGDTLTYILLSWIIKGIPLEHAVNRAISTLQTILR
NTVGTAEINIINCIPYLKGTEESFTITYILEHHHHHH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4s1h Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4s1h Characterization and functional insights into the Entamoeba histolytica pyridoxal kinase, an enzyme essential for its survival.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D111 T141
• Binding residue (residue number reindexed from 1): D111 T141
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G215 V216 G217 D218
• Catalytic site (residue number reindexed from 1): G215 V216 G217 D218
• 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:4s1h, PDBe:4s1h, PDBj:4s1h
• PDBsum: 4s1h
• PubMed: 33045383
• UniProt: C4LVZ4