3rnb

X-ray diffraction
2.64Å resolution

Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/F176W Double Mutant

Released:
Source organism: Pseudomonas sp. OX1
Primary publication:
Tracking a defined route for O₂ migration in a dioxygen-activating diiron enzyme.
Proc Natl Acad Sci U S A 108 14795-800 (2011)
PMID: 21859951

Function and Biology Details

Structure analysis Details

Assemblies composition:
hetero hexamer
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-179786 (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: 57.81 KDa
Source organism: Pseudomonas sp. OX1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6IV66 (Residues: 1-498; Coverage: 100%)
Gene name: touA
Sequence domains:
Structure domains: Ribonucleotide Reductase, subunit A
Toluene o-xylene monooxygenase component Chain: B
Molecule details ›
Chain: B
Length: 330 amino acids
Theoretical weight: 38.38 KDa
Source organism: Pseudomonas sp. OX1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6IV62 (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 Chain: C
Molecule details ›
Chain: C
Length: 86 amino acids
Theoretical weight: 9.99 KDa
Source organism: Pseudomonas sp. OX1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6IV65 (Residues: 1-86; Coverage: 100%)
Gene name: touB
Sequence domains: Toluene-4-monooxygenase system protein B (TmoB)
Structure domains: TmoB-like

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P3121
Unit cell:
a: 183.162Å b: 183.162Å c: 68.081Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.175 0.235
Expression system: Escherichia coli