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Structure paper

TitleLactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis.
Journal, issue, pagesAcs Chem. Biol., Vol. 9, Page 2843-2851, Year 2014
Publish dateSep 29, 2014 (structure data deposition date)
AuthorsYachnin, B.J. / McEvoy, M.B. / MacCuish, R.J. / Morley, K.L. / Lau, P.C. / Berghuis, A.M.
External linksAcs Chem. Biol. / PubMed:25265531
MethodsX-ray diffraction
Resolution1.94 - 2.51 Å
Structure data

PDB-4rg3:
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Tight conformation
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-4rg4:
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Loose conformation
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-ECE:
Caprolactone

ChemComp-BCN:
BICINE / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-PTD:
PENTANEDIAL

Source
  • rhodococcus sp. hi-31 (bacteria)
KeywordsOXIDOREDUCTASE / Baeyer-Villiger monooxygenase / Baeyer-Villiger oxidation / biocatalysis / flavoprotein / green chemistry / protein engineering / Rossmann fold / FAD / NADPH / cyclohexanone / oxygen / Cytosolic (bacterial) / Glutaraldehyde crystal cross-linking

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