› 2ym1

X-ray diffraction
2.28Å resolution

SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH NADP

Released:
DOI: 10.2210/pdb2ym1/pdb
PDB entry 2ym1 coloured by chain, front view.
PDB entry 2ym1 coloured by chain, side view.
PDB entry 2ym1 coloured by chain, top view.
Source organism: Thermobifida fusca
Primary publication:
Snapshots of enzymatic Baeyer-Villiger catalysis: oxygen activation and intermediate stabilization.
Orru R, Dudek HM, Martinoli C, Torres Pazmiño DE, Royant A, Weik M, Fraaije MW, Mattevi A
J Biol Chem 286 29284-29291 (2011)
PMID: 21697090

Function and Biology Details

Reaction catalysed: 
Phenylacetone + NADPH + O(2) = benzyl acetate + NADP(+) + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175303 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenylacetone monooxygenase Chain: A
Molecule details ›
Chain: A
Length: 542 amino acids
Theoretical weight: 61.16 KDa
Source organism: Thermobifida fusca
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q47PU3 (Residues: 1-542; Coverage: 100%)
Gene names: Tfu_1490, pamO
Sequence domains: Flavin-binding monooxygenase-like
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD

Cofactor: Ligand NAP 1 x NAP
4 bound ligands:
Ligand OXY 1 x OXY
Ligand PG4 1 x PG4
Ligand PGE 1 x PGE
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P3221
Unit cell:
a: 107.92Å b: 107.92Å c: 107.491Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.197 0.245
Expression system: Escherichia coli K-12

Quick links

Citations

11 review citations

Flavoenzymes: versatile catalysts in biosynthetic pathways.
Walsh et al. (2013)
10 more

1 mention without citation

Snapshots of enzymatic Baeyer-Villiger catalysis: oxygen activation and intermediate stabilization.
Orru et al. (2011)