› 2thi

X-ray diffraction
2.5Å resolution

THIAMINASE I FROM BACILLUS THIAMINOLYTICUS

Released:
DOI: 10.2210/pdb2thi/pdb
PDB entry 2thi coloured by chain, front view.
PDB entry 2thi coloured by chain, side view.
PDB entry 2thi coloured by chain, top view.
Source organism: Paenibacillus thiaminolyticus
Primary publication:
Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Campobasso N, Costello CA, Kinsland C, Begley TP, Ealick SE
Biochemistry 37 15981-9 (1998)
PMID: 9843405

Function and Biology Details

Reaction catalysed: 
Thiamine + pyridine = 1-((4-amino-2-methylpyrimidin-5-yl)methyl)pyridinium + 4-methyl-5-(2-hydroxyethyl)thiazole
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155336 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiaminase-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 379 amino acids
Theoretical weight: 42.16 KDa
Source organism: Paenibacillus thiaminolyticus
Expression system: Not provided
UniProt:
  • Canonical: P45741 (Residues: 31-409; Coverage: 100%)
Sequence domains: Bacterial extracellular solute-binding protein
Structure domains: Periplasmic binding protein-like II

Ligands and Environments

1 bound ligand:
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 87.7Å b: 120.5Å c: 76.7Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.195 0.275
Expression system: Not provided

Quick links

Citations

3 review citations

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

7 mentions without citation

Modulating the Blood-Brain Barrier: A Comprehensive Review.
Whelan et al. (2021)
6 more