000060946 001__ 60946
000060946 005__ 20170420125648.0
000060946 0247_ $$2doi$$a10.1002/anie.201504617
000060946 0248_ $$2sideral$$a91161
000060946 037__ $$aART-2015-91161
000060946 041__ $$aeng
000060946 100__ $$aAlbesa-Jové, D.
000060946 245__ $$aA Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase
000060946 260__ $$c2015
000060946 5060_ $$aAccess copy available to the general public$$fUnrestricted
000060946 5203_ $$aGlycosyltransferases (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.
000060946 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/CTQ2013-44367-C2-1-P$$9info:eu-repo/grantAgreement/ES/MINECO/BIO2013-49022-C2-1-R$$9info:eu-repo/grantAgreement/ES/MINECO/BIO2013-49022-C2-2-R$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2011-24292$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-53144-P
000060946 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000060946 590__ $$a11.709$$b2015
000060946 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b11 / 162 = 0.068$$c2015$$dQ1$$eT1
000060946 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000060946 700__ $$aMendoza, F.
000060946 700__ $$aRodrigo-Unzueta, A.
000060946 700__ $$0(orcid)0000-0001-8067-3544$$aGomollón-Bel, F.
000060946 700__ $$aCifuente, J. O.
000060946 700__ $$aUrresti, S.
000060946 700__ $$aComino, N.
000060946 700__ $$aGõmez, H.
000060946 700__ $$aRomero-García, J.
000060946 700__ $$aLluch, J. M.
000060946 700__ $$aSancho-Vaello, E.
000060946 700__ $$aBiarnés, X.
000060946 700__ $$aPlanas, A.
000060946 700__ $$0(orcid)0000-0002-2202-3460$$aMerino, P.$$uUniversidad de Zaragoza
000060946 700__ $$aMasgrau, L.
000060946 700__ $$aGuerin, M. E.
000060946 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDepartamento de Química Orgánica$$cQuímica Orgánica
000060946 773__ $$g54, 34 (2015), 9898-9902$$pAngew. Chem.$$tANGEWANDTE CHEMIE-INTERNATIONAL EDITION$$x1433-7851
000060946 8564_ $$s2591341$$uhttps://zaguan.unizar.es/record/60946/files/texto_completo.pdf$$yPostprint
000060946 8564_ $$s133554$$uhttps://zaguan.unizar.es/record/60946/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000060946 909CO $$ooai:zaguan.unizar.es:60946$$particulos$$pdriver
000060946 951__ $$a2017-04-20-12:48:23
000060946 980__ $$aARTICLE