Conformational Itinerary of Sucrose During Hydrolysis by Retaining Amylosucrase

By means of QM(DFT)/MM metadynamics we have unraveled the hydrolytic reaction mechanism of Neisseria polysaccharea amylosucrase (NpAS), a member of GH13 family. Our results provide an atomistic picture of the active site reorganization along the catalytic double-displacement reaction, clarifying whe...

Descripción completa

Detalles Bibliográficos
Autores principales: Alonso-Gil, Santiago, Coines, Joan, André, Isabelle, Rovira, Carme
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6502901/
https://www.ncbi.nlm.nih.gov/pubmed/31114783
http://dx.doi.org/10.3389/fchem.2019.00269

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6502901/
https://www.ncbi.nlm.nih.gov/pubmed/31114783
http://dx.doi.org/10.3389/fchem.2019.00269

Ejemplares similares