60946 20210121114502.0 doi 10.1002/anie.201504617 sideral 91161 ART-2015-91161 eng Albesa-Jové, D. A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase 2015 Access copy available to the general public Unrestricted Glycosyltransferases (GTs) comprise a prominent family of enzymes that play critical roles in a variety of cellular processes, including cell signaling, cell development, and host–pathogen interactions. Glycosyl transfer can proceed with either inversion or retention of the anomeric configuration with respect to the reaction substrates and products. The elucidation of the catalytic mechanism of retaining GTs remains a major challenge. A native ternary complex of a GT in a productive mode for catalysis is reported, that of the retaining glucosyl-3-phosphoglycerate synthase GpgS from M. tuberculosis in the presence of the sugar donor UDP-Glc, the acceptor substrate phosphoglycerate, and the divalent cation cofactor. Through a combination of structural, chemical, enzymatic, molecular dynamics, and quantum-mechanics/molecular-mechanics (QM/MM) calculations, the catalytic mechanism was unraveled, thereby providing a strong experimental support for a front–side substrate-assisted SNi-type reaction. info:eu-repo/grantAgreement/ES/MICINN/CTQ2013-44367-C2-1-P info:eu-repo/grantAgreement/ES/MINECO/BIO2013-49022-C2-1-R info:eu-repo/grantAgreement/ES/MINECO/BIO2013-49022-C2-2-R info:eu-repo/grantAgreement/ES/MINECO/CTQ2011-24292 info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-53144-P info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 11.709 2015 CHEMISTRY, MULTIDISCIPLINARY 11 / 163 = 0.067 2015 Q1 T1 5.888 2015 Chemistry (miscellaneous) 2015 Q1 Catalysis 2015 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Mendoza, F. Rodrigo-Unzueta, A. (orcid)0000-0001-8067-3544 Gomollón-Bel, F. Cifuente, J. O. Urresti, S. Comino, N. Gõmez, H. Romero-García, J. Lluch, J. M. Sancho-Vaello, E. Biarnés, X. Planas, A. (orcid)0000-0002-2202-3460 Merino, P. Universidad de Zaragoza Masgrau, L. Guerin, M. E. 2013 765 Universidad de Zaragoza Dpto. Química Orgánica Área Química Orgánica 54, 34 (2015), 9898-9902 Angew. Chem. (Int. ed.) Angewandte Chemie - International Edition 1433-7851 2591341 http://zaguan.unizar.es/record/60946/files/texto_completo.pdf Postprint 133554 http://zaguan.unizar.es/record/60946/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:60946 articulos driver 2021-01-21-10:51:56 ARTICLE