Rational design of a cyclohexanone dehydrogenase for enhanced α,β-desaturation and substrate specificity.

The selective α,β-desaturation of cyclic carbonyl compounds, which are found in the core of many steroid and bioactive molecules, using green chemistry is highly desirable. To achieve this task, we have for the first time described and solved the structure of a member of the cyclohexanone dehydrogenase class of enzymes. The breadth of substrate specificity was investigated by assaying the cyclohexanone dehydrogenase, from , against several cyclic ketones, lactones and lactams.