Formation of a Covalent Glycosyl–Enzyme Species in a Retaining Glycosyltransferase. Issue 42 (17th September 2013)

• Record Type: Journal Article
• Authors: Rojas‐Cervellera, Víctor; Ardèvol, Albert; Boero, Mauro; Planas, Antoni; Rovira, Carme
• Is Part Of: Chemistry. Volume 19:Issue 42(2013)
• Page Start: 14018
• Page End: 14023
• Publication Date: 2013-09-17
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201302898
• Languages: English
• ISSNs: 0947-6539

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Elusive glycosyl–enzyme adduct</bold>: 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).<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg3jz1pttf" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>