5tdt

X-ray diffraction
1.82Å resolution

Oxygenated toluene intermediate in toluene 4-monooxygenase (T4moHD) after reaction in the crystal

Released:
Source organism: Pseudomonas mendocina
Primary publication:
In-crystal reaction cycle of a toluene-bound diiron hydroxylase.
Nature 544 191-195 (2017)
PMID: 28346937

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
PDBe Complex ID:
PDB-CPX-169419 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Toluene-4-monooxygenase system, hydroxylase component subunit alpha Chains: A, D
Molecule details ›
Chains: A, D
Length: 493 amino acids
Theoretical weight: 57.45 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00456 (Residues: 1-493; Coverage: 99%)
Gene name: tmoA
Sequence domains: Methane/Phenol/Alkene Hydroxylase
Structure domains: Ribonucleotide Reductase, subunit A
Toluene-4-monooxygenase system, hydroxylase component subunit beta Chains: B, F
Molecule details ›
Chains: B, F
Length: 307 amino acids
Theoretical weight: 36.18 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00460 (Residues: 1-307; Coverage: 94%)
Gene name: tmoE
Sequence domains: Methane/Phenol/Alkene Hydroxylase
Structure domains: Ribonucleotide Reductase, subunit A
Toluene-4-monooxygenase system, hydroxylase component subunit gamma Chains: C, G
Molecule details ›
Chains: C, G
Length: 84 amino acids
Theoretical weight: 9.6 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00457 (Residues: 1-84; Coverage: 100%)
Gene name: tmoB
Sequence domains: Toluene-4-monooxygenase system protein B (TmoB)
Structure domains: TmoB-like
Toluene-4-monooxygenase system, effector component Chains: E, H
Molecule details ›
Chains: E, H
Length: 103 amino acids
Theoretical weight: 11.63 KDa
Source organism: Pseudomonas mendocina
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00459 (Residues: 1-103; Coverage: 100%)
Gene name: tmoD
Sequence domains: MmoB/DmpM family
Structure domains: Monooxygenase component MmoB/DmpM

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 99.898Å b: 116.253Å c: 181.607Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.153 0.153 0.187
Expression system: Escherichia coli BL21