3dhg

X-ray diffraction
1.85Å resolution

Crystal Structure of Toluene 4-Monoxygenase Hydroxylase

Released:
Source organism: Pseudomonas mendocina
Primary publication:
Structural consequences of effector protein complex formation in a diiron hydroxylase.
Proc. Natl. Acad. Sci. U.S.A. 105 19194-8 (2008)
PMID: 19033467

Function and Biology Details

Reaction catalysed:
Toluene + NADH + O(2) = 4-methylphenol + NAD(+) + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
hetero trimer (preferred)
hetero hexamer
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Toluene-4-monooxygenase system, hydroxylase component subunit alpha Chains: A, D
Molecule details ›
Chains: A, D
Length: 500 amino acids
Theoretical weight: 58.17 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00456 (Residues: 1-500; Coverage: 100%)
Gene name: tmoA
Sequence domains: Methane/Phenol/Toluene Hydroxylase
Structure domains: Ribonucleotide Reductase, subunit A
Toluene-4-monooxygenase system, hydroxylase component subunit beta Chains: B, E
Molecule details ›
Chains: B, E
Length: 327 amino acids
Theoretical weight: 38.39 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00460 (Residues: 1-327; Coverage: 100%)
Gene name: tmoE
Sequence domains: Methane/Phenol/Toluene Hydroxylase
Structure domains: Ribonucleotide Reductase, subunit A
Toluene-4-monooxygenase system, hydroxylase component subunit gamma Chains: C, F
Molecule details ›
Chains: C, F
Length: 84 amino acids
Theoretical weight: 9.6 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00457 (Residues: 1-84; Coverage: 100%)
Gene name: tmoB
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 23-ID-D
Spacegroup: P21
Unit cell:
a: 56.822Å b: 181.481Å c: 89.917Å
α: 90° β: 107.62° γ: 90°
R-values:
R R work R free
0.167 0.164 0.214
Expression system: Escherichia coli