› 2nwb

X-ray diffraction
2.4Å resolution

Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52.

Released:
DOI: 10.2210/pdb2nwb/pdb
PDB entry 2nwb coloured by chain, front view.
PDB entry 2nwb coloured by chain, side view.
PDB entry 2nwb coloured by chain, top view.
Source organism: Shewanella oneidensis MR-1
Primary publication:
Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Forouhar F, Anderson JL, Mowat CG, Vorobiev SM, Hussain A, Abashidze M, Bruckmann C, Thackray SJ, Seetharaman J, Tucker T, Xiao R, Ma LC, Zhao L, Acton TB, Montelione GT, Chapman SK, Tong L
Proc Natl Acad Sci U S A 104 473-8 (2007)
PMID: 17197414

Function and Biology Details

Reaction catalysed: 
L-tryptophan + O(2) = N-formyl-L-kynurenine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184321 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryptophan 2,3-dioxygenase KynA Chains: A, B
Molecule details ›
Chains: A, B
Length: 400 amino acids
Theoretical weight: 46.11 KDa
Source organism: Shewanella oneidensis MR-1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8E972 (Residues: 1-392; Coverage: 100%)
Gene names: SO_4414, kynA
Sequence domains: Monodechloroaminopyrrolnitrin synthase PrnB
Structure domains:

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21212
Unit cell:
a: 138.851Å b: 68.698Å c: 87.79Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.217 0.225
Expression system: Escherichia coli

Quick links

Citations

27 review citations

Heme enzyme structure and function.
Poulos TL. (2014)
26 more

2 mentions without citation

Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Forouhar et al. (2007)
1 more