Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations

Autor: 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

Publikováno v: Nature Communications, Vol 12, Iss 1, Pp 1-13 (2021)

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

Externí odkaz: https://doaj.org/article/f08dda3a577f4952986c4973ca29658d

Computer Simulation to Rationalize 'Rational' Engineering of Glycoside Hydrolases and Glycosyltransferases

Autor: Joan Coines, Irene Cuxart, David Teze, Carme Rovira

Publikováno v: Coines, J, Cuxart, I, Teze, D & Rovira, C 2022, ' Computer Simulation to Rationalize "Rational" Engineering of Glycoside Hydrolases and Glycosyltransferases ', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 126, no. 4, pp. 802-812 . https://doi.org/10.1021/acs.jpcb.1c09536

Glycoside hydrolases and glycosyltransferases are the main classes of enzymes that synthesize and degrade carbohydrates, molecules essential to life that are a challenge for classical chemistry. As such, considerable efforts have been made to enginee

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad685c17520bbf6a62ceb21f8e1134a4
https://doi.org/10.1021/acs.jpcb.1c09536

Enzymatische C4‐Epimerisierung von UDP‐Glucuronsäure: präzise gesteuerte Rotation eines transienten 4‐Ketointermediats für eine invertierende Reaktion ohne Decarboxylierung

Autor: Oriol Esquivias, Annika Borg, Carme Rovira, Joan Coines, Bernd Nidetzky

Publikováno v: Angewandte Chemie. 135

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1858dd7e4e09a3fb074746d3a2665bc6
https://doi.org/10.1002/ange.202211937

A Single Point Mutation Converts GH84 O-GlcNAc Hydrolases into Phosphorylases: Experimental and Theoretical Evidence

Autor: Claude Solleux, Valentina Kalichuk, David Teze, Joan Coines, Corinne André-Miral, Lluís Raich, Carme Rovira, Birte Svensson, Charles Tellier

Publikováno v: Teze, D, Coines, J, Raich, L, Kalichuk, V, Solleux, C, Tellier, C, André-Miral, C, Svensson, B & Rovira, C 2020, ' A Single Point Mutation Converts GH84 O-GlcNAc Hydrolases into Phosphorylases: Experimental and Theoretical Evidence ', Journal of the American Chemical Society, vol. 142, no. 5, pp. 2120-2124 . https://doi.org/10.1021/jacs.9b09655

Glycoside hydrolases and phosphorylases are two major classes of enzymes responsible for the cleavage of glycosidic bonds. Here we show that two GH84 O-GlcNAcase enzymes can be converted to efficient phosphorylases by a single point mutation. Notewor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::faac0b50615939e885bae04a84487fbf
https://doi.org/10.1021/jacs.9b09655

Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations

Autor: Camila R. Santos, Jessica B. L. Correa, Joan Coines, Mariane Noronha Domingues, Celisa Caldana Costa Tonoli, Renan A. S. Pirolla, Fabio C. Gozzo, Mário T. Murakami, Mariana Abrahão Bueno de Morais, Carme Rovira

Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
Nature Communications, Vol 12, Iss 1, Pp 1-13 (2021)
Nature Communications

Xylanolytic enzymes from glycoside hydrolase family 43 (GH43) are involved in the breakdown of hemicellulose, the second most abundant carbohydrate in plants. Here, we kinetically and mechanistically describe the non-reducing-end xylose-releasing exo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d2ba87d4deeb4a70a0f5ade87db6a07
http://hdl.handle.net/2445/182598