Literature DB >> 24108590

Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase.

Víctor Rojas-Cervellera1, Albert Ardèvol, Mauro Boero, Antoni Planas, Carme Rovira.   

Abstract

Elusive glycosyl-enzyme adduct: Using classical MD simulations and QM/MM metadynamics, the long-time sought glycosyl-enzyme covalent intermediate of a retaining glycosyltransferase, with a putative nucleophile residue in the active site, has been trapped (MD=molecular dynamics; QM/MM=quantum mechanics/molecular mechanics).
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords:  Car-Parrinello method; ab initio molecular dynamics; glycosyl hydrolases; glycosyltransferases

Mesh：

Substances：

Year:  2013        PMID： 24108590     DOI： 10.1002/chem.201302898

Source DB:  PubMed          Journal:  Chemistry        ISSN： 0947-6539            Impact factor:   5.236


  12 in total

Review 1.  Structure-function relationships of membrane-associated GT-B glycosyltransferases.

Authors:  David Albesa-Jové; David Giganti; Mary Jackson; Pedro M Alzari; Marcelo E Guerin
Journal:  Glycobiology       Date:  2013-11-18       Impact factor: 4.313

2.  The retaining β-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.

Authors:  Taylor J B Forrester; Olga G Ovchinnikova; Zhixiong Li; Elena N Kitova; Jeremy T Nothof; Akihiko Koizumi; John S Klassen; Todd L Lowary; Chris Whitfield; Matthew S Kimber
Journal:  Nat Commun       Date:  2022-10-21       Impact factor: 17.694

3.  A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2.

Authors:  Hansel Gómez; Raúl Rojas; Divya Patel; Lawrence A Tabak; José M Lluch; Laura Masgrau
Journal:  Org Biomol Chem       Date:  2014-05-07       Impact factor: 3.876

4.  Tuning the Transglycosylation Reaction of a GH11 Xylanase by a Delicate Enhancement of its Thumb Flexibility.

Authors:  Kim Marneth; Hans van den Elst; Anneloes Cramer-Blok; Jeroen Codee; Hermen S Overkleeft; Johannes M F G Aerts; Marcellus Ubbink; Fredj Ben Bdira
Journal:  Chembiochem       Date:  2021-03-16       Impact factor: 3.164

5.  Stepwise catalytic mechanism via short-lived intermediate inferred from combined QM/MM MERP and PES calculations on retaining glycosyltransferase ppGalNAcT2.

Authors:  Tomáš Trnka; Stanislav Kozmon; Igor Tvaroška; Jaroslav Koča
Journal:  PLoS Comput Biol       Date:  2015-04-07       Impact factor: 4.475

6.  Bacterial Glycosyltransferases: Challenges and Opportunities of a Highly Diverse Enzyme Class Toward Tailoring Natural Products.

Authors:  Jochen Schmid; Dominik Heider; Norma J Wendel; Nadine Sperl; Volker Sieber
Journal:  Front Microbiol       Date:  2016-02-18       Impact factor: 5.640

Review 7.  Enzymatic synthesis of glycosides: from natural O- and N-glycosides to rare C- and S-glycosides.

Authors:  Jihen Ati; Pierre Lafite; Richard Daniellou
Journal:  Beilstein J Org Chem       Date:  2017-09-05       Impact factor: 2.883

8.  Side Chain Conformation Restriction in the Catalysis of Glycosidic Bond Formation by Leloir Glycosyltransferases, Glycoside Phosphorylases, and Transglycosidases.

Authors:  Jonathan C K Quirke; David Crich
Journal:  ACS Catal       Date:  2021-04-13       Impact factor: 13.084

9.  Eliminating hydrolytic activity without affecting the transglycosylation of a GH1 β-glucosidase.

Authors:  Pontus Lundemo; Eva Nordberg Karlsson; Patrick Adlercreutz
Journal:  Appl Microbiol Biotechnol       Date:  2016-09-27       Impact factor: 4.813

Review 10.  The Glycosyltransferases of LPS Core: A Review of Four Heptosyltransferase Enzymes in Context.

Authors:  Joy M Cote; Erika A Taylor
Journal:  Int J Mol Sci       Date:  2017-10-27       Impact factor: 5.923
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