Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis

[Image: see text] We describe an approach to identify enzyme mutants with increased turnover using the enzyme DszC as a case study. Our approach is based on recalculating the barriers of alanine mutants through single-point energy calculations at the hybrid QM/MM level in the wild-type reactant and...

Descripción completa

Detalles Bibliográficos
Autores principales: Neves, Rui P. P., Ramos, Maria J., Fernandes, Pedro A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832474/
https://www.ncbi.nlm.nih.gov/pubmed/36534708
http://dx.doi.org/10.1021/acs.jcim.2c01337

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832474/
https://www.ncbi.nlm.nih.gov/pubmed/36534708
http://dx.doi.org/10.1021/acs.jcim.2c01337

Ejemplares similares