Despite advances in enzyme design and engineering, the development of biocatalysts featuring a combination of tailored stereoselectivity with broad substrate scope has been very difficult. Focusing on a new-to-nature reaction, the authors report a mechanism-based, multi-state computational design workflow for the generation of ‘generalist’ cyclopropanases capable of transforming a broad range of substrates with tailored and divergent stereoselectivity.
- Zhuofan Shen
- Mary G. Siriboe
- Rudi Fasan