› 3n20

X-ray diffraction
1.9Å resolution

X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201V Mutant

Released:
DOI: 10.2210/pdb3n20/pdb
PDB entry 3n20 coloured by chain, front view.
PDB entry 3n20 coloured by chain, side view.
PDB entry 3n20 coloured by chain, top view.
Source organism: Pseudomonas sp. OX1
Primary publication:
Active site threonine facilitates proton transfer during dioxygen activation at the diiron center of toluene/o-xylene monooxygenase hydroxylase.
Song WJ, McCormick MS, Behan RK, Sazinsky MH, Jiang W, Lin J, Krebs C, Lippard SJ
J Am Chem Soc 132 13582-5 (2010)
PMID: 20839885

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero hexamer
hetero trimer (preferred)
Assembly name:
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: 57.78 KDa
Source organism: Pseudomonas sp. OX1
Expression system: Escherichia coli BL21(DE3)
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 BL21(DE3)
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 BL21(DE3)
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:
Ligand GOL 4 x GOL
Ligand P6G 4 x P6G
Ligand FE 2 x FE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P3121
Unit cell:
a: 182.889Å b: 182.889Å c: 68.578Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.206 0.206 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes.
Jasniewski et al. (2018)
1 more

1 mention without citation

Active site threonine facilitates proton transfer during dioxygen activation at the diiron center of toluene/o-xylene monooxygenase hydroxylase.
Song et al. (2010)