› 2ind

X-ray diffraction
2.2Å resolution

Mn(II) Reconstituted Toluene/o-xylene Monooxygenase Hydroxylase X-ray Crystal Structure

Released:
DOI: 10.2210/pdb2ind/pdb
PDB entry 2ind coloured by chain, front view.
PDB entry 2ind coloured by chain, side view.
PDB entry 2ind coloured by chain, top view.
Source organism: Stutzerimonas stutzeri
Primary publication:
X-ray crystal structures of manganese(II)-reconstituted and native toluene/o-xylene monooxygenase hydroxylase reveal rotamer shifts in conserved residues and an enhanced view of the protein interior.
McCormick MS, Sazinsky MH, Condon KL, Lippard SJ
J Am Chem Soc 128 15108-10 (2006)
PMID: 17117860

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
PDBe Complex ID:
PDB-CPX-131506 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
YHS domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 491 amino acids
Theoretical weight: 57.04 KDa
Source organism: Stutzerimonas stutzeri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87798 (Residues: 2-492; Coverage: 99%)
Gene name: touA
Sequence domains:
Structure domains: Ribonucleotide Reductase, subunit A
Toluene, o-xylene monooxygenase oxygenase subunit Chain: B
Molecule details ›
Chain: B
Length: 323 amino acids
Theoretical weight: 37.55 KDa
Source organism: Stutzerimonas stutzeri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87802 (Residues: 8-330; Coverage: 98%)
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: 83 amino acids
Theoretical weight: 9.67 KDa
Source organism: Stutzerimonas stutzeri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87799 (Residues: 3-85; Coverage: 97%)
Gene name: touB
Sequence domains: Toluene-4-monooxygenase system protein B (TmoB)
Structure domains: TmoB-like

Ligands and Environments

2 bound ligands:
Ligand MN 2 x MN
Ligand P6G 1 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P3121
Unit cell:
a: 182.521Å b: 182.521Å c: 67.792Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.217 0.217 0.246
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Gates of enzymes.
Gora et al. (2013)
4 more

3 mentions without citation

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