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dc.contributor.authorDel Arco, Jonspa
dc.contributor.authorPerona Requena, Almudenaspa
dc.contributor.authorGonzález, Leticiaspa
dc.contributor.authorFernández Lucas, Jesússpa
dc.contributor.authorGago, Federicospa
dc.contributor.authorSánchez-Murcia, Pedro Alejandrospa
dc.date.accessioned2019-09-11T15:27:46Z
dc.date.available2019-09-11T15:27:46Z
dc.date.issued2019
dc.identifier.urihttp://hdl.handle.net/11323/5253spa
dc.description.abstractInsight into the catalytic mechanism of Lactobacillus leichmannii nucleoside 2′-deoxyribosyltransferase (LlNDT) has been gained by calculating a quantum mechanics–molecular mechanics (QM/MM) free-energy landscape of the reaction within the enzyme active site. Our results support an oxocarbenium species as the reaction intermediate and thus an SN1 reaction mechanism in this family of bacterial enzymes. Our mechanistic proposal is validated by comparing experimental kinetic data on the impact of the single amino acid replacements Tyr7, Glu98 and Met125 with Ala, Asp and Ala/norLeu, respectively, and accounts for the specificity shown by this enzyme on a non-natural substrate. This work broadens our understanding of enzymatic C–N bond cleavage and C–N bond formation.spa
dc.language.isospa
dc.publisherUniversidad de la Costaspa
dc.rightsCC0 1.0 Universalspa
dc.rights.urihttp://creativecommons.org/publicdomain/zero/1.0/spa
dc.subjectNucleoside 2’-deoxyribosyltransferasesspa
dc.subjectOxocarbenium ionspa
dc.subjectReaction intermediatespa
dc.titleReaction mechanism of nucleoside 2’-deoxyribosyltransferases: free-energy landscape supports an oxocarbenium ion as the reaction intermediatespa
dc.typePre-Publicaciónspa
dc.rights.accessrightsinfo:eu-repo/semantics/openAccessspa
dc.identifier.instnameCorporación Universidad de la Costaspa
dc.identifier.reponameREDICUC - Repositorio CUCspa
dc.identifier.repourlhttps://repositorio.cuc.edu.co/spa
dc.type.coarhttp://purl.org/coar/resource_type/c_816bspa
dc.type.contentTextspa
dc.type.driverinfo:eu-repo/semantics/preprintspa
dc.type.redcolhttp://purl.org/redcol/resource_type/ARTOTRspa
dc.type.versioninfo:eu-repo/semantics/acceptedVersionspa
dc.type.coarversionhttp://purl.org/coar/version/c_ab4af688f83e57aaspa
dc.rights.coarhttp://purl.org/coar/access_right/c_abf2spa


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