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.

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Autores principales:	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
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/f08dda3a577f4952986c4973ca29658d
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spelling	oai:doaj.org-article:f08dda3a577f4952986c4973ca29658d2021-12-02T15:22:48ZTwo distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations10.1038/s41467-020-20620-32041-1723https://doaj.org/article/f08dda3a577f4952986c4973ca29658d2021-01-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-20620-3https://doaj.org/toc/2041-1723Family 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.Mariana A. B. MoraisJoan CoinesMariane N. DominguesRenan A. S. PirollaCelisa C. C. TonoliCamila R. SantosJessica B. L. CorreaFabio C. GozzoCarme RoviraMario T. MurakamiNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q 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 Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
description	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.
format	article
author	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
author_facet	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
author_sort	Mariana A. B. Morais
title	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
title_short	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
title_full	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
title_fullStr	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
title_full_unstemmed	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations
title_sort	two distinct catalytic pathways for gh43 xylanolytic enzymes unveiled by x-ray and qm/mm simulations
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/f08dda3a577f4952986c4973ca29658d
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Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations

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