› 2gm8

X-ray diffraction
2.5Å resolution

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

Released:
DOI: 10.2210/pdb2gm8/pdb
PDB 2gm8 coloured by chain and viewed from the front.
PDB 2gm8 coloured by chain and viewed from the side.
PDB 2gm8 coloured by chain and viewed from the top.
Source organism: Pyrobaculum aerophilum str. IM2
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
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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
UniProt:
  • 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:
Ligand HMH 4 x HMH
Ligand EDO 2 x EDO
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-values:
R R work R free
0.189 0.187 0.237
Expression system: Escherichia coli

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