› 2rdb

X-ray diffraction
2.1Å resolution

X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase I100W Mutant

Released:
DOI: 10.2210/pdb2rdb/pdb
PDB entry 2rdb coloured by chain, front view.
PDB entry 2rdb coloured by chain, side view.
PDB entry 2rdb coloured by chain, top view.
Source organism: Stutzerimonas stutzeri
Primary publication:
Dioxygen activation at non-heme diiron centers: oxidation of a proximal residue in the I100W variant of toluene/o-xylene monooxygenase hydroxylase.
Murray LJ, García-Serres R, McCormick MS, Davydov R, Naik SG, Kim SH, Hoffman BM, Huynh BH, Lippard SJ
Biochemistry 46 14795-809 (2007)
PMID: 18044971

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assemblies composition:
hetero trimer (preferred)
hetero hexamer
PDBe Complex ID:
PDB-CPX-131505 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
YHS domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 498 amino acids
Theoretical weight: 57.86 KDa
Source organism: Stutzerimonas stutzeri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87798 (Residues: 1-498; Coverage: 100%)
Gene name: touA
Sequence domains:
Structure domains: Ribonucleotide Reductase, subunit A
Toluene, o-xylene monooxygenase oxygenase subunit Chain: B
Molecule details ›
Chain: B
Length: 330 amino acids
Theoretical weight: 38.38 KDa
Source organism: Stutzerimonas stutzeri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87802 (Residues: 1-330; Coverage: 100%)
Gene name: touE
Sequence domains: Methane/Phenol/Alkene Hydroxylase
Structure domains: Ribonucleotide Reductase, subunit A
Toluene o-xylene monooxygenase component TouB Chain: C
Molecule details ›
Chain: C
Length: 86 amino acids
Theoretical weight: 9.99 KDa
Source organism: Stutzerimonas stutzeri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87799 (Residues: 1-86; Coverage: 100%)
Gene name: touB
Sequence domains: Toluene-4-monooxygenase system protein B (TmoB)
Structure domains: TmoB-like

Ligands and Environments

4 bound ligands:
Ligand GOL 2 x GOL
Ligand P6G 1 x P6G
Ligand FE 2 x FE
Ligand MPO 1 x MPO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P3121
Unit cell:
a: 182.42Å b: 182.42Å c: 67.962Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.217 0.284
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Gates of enzymes.
Gora et al. (2013)
8 other articles

3 mentions without citation

Insights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylases.
Bochevarov et al. (2011)
2 more