› 3bfj

X-ray diffraction
2.7Å resolution

Crystal structure analysis of 1,3-propanediol oxidoreductase

Released:
DOI: 10.2210/pdb3bfj/pdb
Model geometry
Fit model/data
PDB entry 3bfj coloured by chain, front view.
PDB entry 3bfj coloured by chain, side view.
PDB entry 3bfj coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
1,3-Propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity.
Marçal D, Rêgo AT, Carrondo MA, Enguita FJ
J Bacteriol 191 1143-51 (2009)
PMID: 19011020

Function and Biology Details

Reaction catalysed: 
Propane-1,3-diol + NAD(+) = 3-hydroxypropanal + NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo decamer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182125 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,3-propanediol oxidoreductase Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Length: 387 amino acids
Theoretical weight: 41.59 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7WRJ3 (Residues: 1-387; Coverage: 100%)
Gene name: dhaT
Sequence domains: Iron-containing alcohol dehydrogenase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand FE2 20 x FE2
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21
Unit cell:
a: 91.937Å b: 226.611Å c: 232.627Å
α: 90° β: 92.91° γ: 90°
R-values:
R R work R free
0.205 0.203 0.251
Expression system: Escherichia coli

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Citations

1 review citation

Key enzymes catalyzing glycerol to 1,3-propanediol.
Jiang et al. (2016)
25 other articles

12 mentions without citation

Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum.
Brown et al. (2011)
11 more