000280467 001__ 280467 000280467 005__ 20240625095125.0 000280467 0247_ $$2doi$$a10.1093/nar/gkv254 000280467 0247_ $$2ISSN$$a0261-3166 000280467 0247_ $$2ISSN$$a0305-1048 000280467 0247_ $$2ISSN$$a1362-4962 000280467 0247_ $$2ISSN$$a1746-8272 000280467 0247_ $$2Handle$$a2128/9665 000280467 0247_ $$2WOS$$aWOS:000355317200042 000280467 037__ $$aFZJ-2016-00241 000280467 082__ $$a540 000280467 1001_ $$0P:(DE-Juel1)145921$$aRossetti, G.$$b0$$ufzj 000280467 245__ $$aThe structural impact of DNA mismatches 000280467 260__ $$aOxford$$bOxford Univ. Press69994$$c2015 000280467 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1452513985_912 000280467 3367_ $$2DataCite$$aOutput Types/Journal article 000280467 3367_ $$00$$2EndNote$$aJournal Article 000280467 3367_ $$2BibTeX$$aARTICLE 000280467 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000280467 3367_ $$2DRIVER$$aarticle 000280467 520__ $$aThe structure and dynamics of all the transversion and transition mismatches in three different DNA environments have been characterized by molecular dynamics simulations and NMR spectroscopy. We found that the presence of mismatches produced significant local structural alterations, especially in the case of purine transversions. Mismatched pairs often show promiscuous hydrogen bonding patterns, which interchange among each other in the nanosecond time scale. This therefore defines flexible base pairs, where breathing is frequent, and where distortions in helical parameters are strong, resulting in significant alterations in groove dimension. Even if the DNA structure is plastic enough to absorb the structural impact of the mismatch, local structural changes can be propagated far from the mismatch site, following the expected through-backbone and a previously unknown through-space mechanism. The structural changes related to the presence of mismatches help to understand the different susceptibility of mismatches to the action of repairing proteins. 000280467 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x0 000280467 588__ $$aDataset connected to CrossRef 000280467 7001_ $$0P:(DE-HGF)0$$aDans, P. 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