› 5mq6

X-ray diffraction
2Å resolution

Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila

Released:
DOI: 10.2210/pdb5mq6/pdb
PDB entry 5mq6 coloured by chain, front view.
PDB entry 5mq6 coloured by chain, side view.
PDB entry 5mq6 coloured by chain, top view.
Source organism: Thermothelomyces thermophilus
Primary publication:
Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila: A Structurally Distinct Biocatalyst for Bulky Substrates.
Fürst MJ, Savino S, Dudek HM, Gómez Castellanos JR, Gutiérrez de Souza C, Rovida S, Fraaije MW, Mattevi A
J Am Chem Soc 139 627-630 (2017)
PMID: 28010060

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-515248 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FAD/NAD(P)-binding domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 655 amino acids
Theoretical weight: 72.23 KDa
Source organism: Thermothelomyces thermophilus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: G2QA95 (Residues: 1-655; Coverage: 100%)
Gene name: MYCTH_65400
Sequence domains: Pyridine nucleotide-disulphide oxidoreductase

Ligands and Environments

3 bound ligands:
Ligand FAD 1 x FAD
Ligand NDP 1 x NDP
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 59.2Å b: 91.02Å c: 133.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.153 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Biocatalytic synthesis of lactones and lactams.
Hollmann et al. (2018)
1 more

1 mention without citation

Discovery of Two Native Baeyer-Villiger Monooxygenases for Asymmetric Synthesis of Bulky Chiral Sulfoxides.
Zhang et al. (2018)