› 1esq

X-ray diffraction
2.5Å resolution

CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) WITH ATP AND THIAZOLE PHOSPHATE.

Released:
DOI: 10.2210/pdb1esq/pdb
PDB entry 1esq coloured by chain, front view.
PDB entry 1esq coloured by chain, side view.
PDB entry 1esq coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Campobasso N, Mathews II, Begley TP, Ealick SE
Biochemistry 39 7868-77 (2000)
PMID: 10891066

Function and Biology Details

Reaction catalysed: 
ATP + 4-methyl-5-(2-hydroxyethyl)thiazole = ADP + 4-methyl-5-(2-phosphonooxyethyl)thiazole
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153901 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hydroxyethylthiazole kinase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 284 amino acids
Theoretical weight: 29.63 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: P39593 (Residues: 1-272; Coverage: 100%)
Gene names: BSU38300, ipa-25d, thiK, thiM, ywbJ
Sequence domains: Hydroxyethylthiazole kinase family
Structure domains: UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase

Ligands and Environments

4 bound ligands:
Ligand MG 6 x MG
Ligand ATP 3 x ATP
Ligand TZP 3 x TZP
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 54.08Å b: 100.84Å c: 72.51Å
α: 90° β: 95.1° γ: 90°
R-values:
R R work R free
0.212 0.209 0.282
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Structural biology of enzymes of the thiamin biosynthesis pathway.
Settembre et al. (2003)
1 more

9 mentions without citation

The structural and biochemical foundations of thiamin biosynthesis.
Jurgenson et al. (2009)
8 more