› 4s1m

X-ray diffraction
1.64Å resolution

Crystal Structure of Pyridoxal Kinase from Entamoeba histolytica

Released:
DOI: 10.2210/pdb4s1m/pdb
PDB entry 4s1m coloured by chain, front view.
PDB entry 4s1m coloured by chain, side view.
PDB entry 4s1m coloured by chain, top view.
Source organism: Entamoeba histolytica
Primary publication:
Characterization and functional insights into the Entamoeba histolytica pyridoxal kinase, an enzyme essential for its survival.
Tarique KF, Devi S, Tomar P, Ali MF, Rehman SAA, Gourinath S
J Struct Biol 212 107645 (2020)
PMID: 33045383

Function and Biology Details

Reaction catalysed: 
ATP + pyridoxal = ADP + pyridoxal 5'-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111309 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
pyridoxal kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 32.17 KDa
Source organism: Entamoeba histolytica
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: C4LVZ4 (Residues: 1-279; Coverage: 100%)
Gene name: EHI_126090
Sequence domains: Phosphomethylpyrimidine kinase
Structure domains: UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase

Ligands and Environments

1 bound ligand:
Ligand MG 2 x MG
1 modified residue:
Ligand CME 2 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P21
Unit cell:
a: 44.131Å b: 91.111Å c: 76.777Å
α: 90° β: 99.64° γ: 90°
R-values:
R R work R free
0.175 0.174 0.198
Expression system: Escherichia coli BL21

Quick links

Citations

2 citation in other articles

Virtual Screening of FDA-Approved Drugs against Triose Phosphate Isomerase from Entamoeba histolytica and Giardia lamblia Identifies Inhibitors of Their Trophozoite Growth Phase.
Juárez-Saldivar et al. (2021)
1 more