Accelerating Enzyme Evolution with Computational Design and AlphaFold2

Computational design can speed up enzyme use in biocatalysis. D-lactonohydrolase was used as a case study to show the reliability of AlphaFold2's predicted structure for enzyme evolution. The CSFp strategy was used to enhance enzyme activity, resulting in a mutant with a 56-fold increase in activity and 99% enantioselectivity. This approach can help improve enzyme activity for enzymes lacking crystal structure information or an unclear catalytic mechanism.