X-ray diffraction
2.5Å resolution

TenA Homolog/Thi-4 Thiaminase complexed with product 4-amino-5-hydroxymethyl-2-methylpyrimidine

Entry authors: Sawaya MR, Chan S, Han GW, Perry LJ, Pashkov I

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:
  • not assigned
Cellular component:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Thiaminase-2/PQQC domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 221 amino acids
Theoretical weight: 25.23 KDa
Source organism: Pyrobaculum aerophilum str. IM2
Expression system: Escherichia coli
  • Canonical: Q8ZZM9 (Residues: 2-212; Coverage: 100%)
Gene name: PAE0170
Sequence domains: TENA/THI-4/PQQC family
Structure domains: Heme oxygenase-like

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P21
Unit cell:
a: 70.647Å b: 94.287Å c: 73.198Å
α: 90° β: 113.65° γ: 90°
R R work R free
0.189 0.187 0.237
Expression system: Escherichia coli