› 4emi

X-ray diffraction
1.81Å resolution

Toluene dioxygenase reductase in reduced state in complex with NAD+

Released:
DOI: 10.2210/pdb4emi/pdb
PDB entry 4emi coloured by chain, front view.
PDB entry 4emi coloured by chain, side view.
PDB entry 4emi coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Suppression of electron transfer to dioxygen by charge transfer and electron transfer complexes in the FAD-dependent reductase component of toluene dioxygenase.
Lin TY, Werther T, Jeoung JH, Dobbek H
J Biol Chem 287 38338-46 (2012)
PMID: 22992736

Function and Biology Details

Reaction catalysed: 
2 reduced [2Fe-2S] ferredoxin + NAD(+) + H(+) = 2 oxidized [2Fe-2S] ferredoxin + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107769 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Toluene 1,2-dioxygenase system ferredoxin--NAD(+) reductase component Chain: A
Molecule details ›
Chain: A
Length: 410 amino acids
Theoretical weight: 42.98 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: A5W4E9 (Residues: 1-410; Coverage: 100%)
Gene names: Pput_2878, todA
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD

Cofactor: Ligand FAD 1 x FAD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P41212
Unit cell:
a: 78.434Å b: 78.434Å c: 158.668Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.184 0.215
Expression system: Escherichia coli

Quick links

Citations

11 citation in other articles

Rethinking biological activation of methane and conversion to liquid fuels.
Haynes et al. (2014)
10 more

1 mention without citation

Suppression of electron transfer to dioxygen by charge transfer and electron transfer complexes in the FAD-dependent reductase component of toluene dioxygenase.
Lin et al. (2012)