Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
Family 43 glycoside hydrolases (GH43) are involved in the breakdown of hemicellulose. Functional, structural and computational characterization of a GH43 enzyme, including a snapshot of an active Michaelis complex, reveal the hydrolysis mechanism and suggest two possible reaction pathways.
Enregistré dans:
Auteurs principaux: | Mariana A. B. Morais, Joan Coines, Mariane N. Domingues, Renan A. S. Pirolla, Celisa C. C. Tonoli, Camila R. Santos, Jessica B. L. Correa, Fabio C. Gozzo, Carme Rovira, Mario T. Murakami |
---|---|
Format: | article |
Langue: | EN |
Publié: |
Nature Portfolio
2021
|
Sujets: | |
Accès en ligne: | https://doaj.org/article/f08dda3a577f4952986c4973ca29658d |
Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
-
The Impact of Electron Correlation on Describing QM/MM Interactions in the Attendant Molecular Dynamics Simulations of CO in Myoglobin
par: Xianwei Wang, et autres
Publié: (2020) -
QM/MM molecular dynamics study of the galactopyranose → galactofuranose reaction catalysed by Trypanosoma cruzi UDP-galactopyranose mutase.
par: Gustavo Pierdominici-Sottile, et autres
Publié: (2014) -
QM/MM free energy Simulations of an efficient Gluten Hydrolase (Kuma030) Implicate for a Reactant-State Based Protein-Design Strategy for General Acid/Base Catalysis
par: Xia Wang, et autres
Publié: (2018) -
Cálculo de derivadas de la energía libre en disolución empleando un método quantum mechanichs/molecular mechanica (QM/MM) y la aproximación al campo medio
par: Fernández Galván, Ignacio
Publié: (2004) -
Growth hormone (GH)-releasing hormone and GH secretagogues in normal aging: Fountain of Youth or Pool of Tantalus?
par: Elizabeth C Hersch, et autres
Publié: (2008)