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http://hdl.handle.net/2445/153994
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DC Field | Value | Language |
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dc.contributor.author | Battistini, Federica | - |
dc.contributor.author | Hospital, Adam | - |
dc.contributor.author | Buitrago Ospina, Diana Camila | - |
dc.contributor.author | Gallego Perez, Diego | - |
dc.contributor.author | Dans, Pablo D. | - |
dc.contributor.author | Gelpí Buchaca, Josep Lluís | - |
dc.contributor.author | Orozco López, Modesto | - |
dc.date.accessioned | 2020-03-26T13:54:47Z | - |
dc.date.available | 2020-07-17T05:10:24Z | - |
dc.date.issued | 2019-07-17 | - |
dc.identifier.issn | 0022-2836 | - |
dc.identifier.uri | http://hdl.handle.net/2445/153994 | - |
dc.description.abstract | The rules governing sequence-specific DNA-protein recognition are under a long-standing debate regarding the prevalence of base versus shape readout mechanisms to explain sequence specificity and of the conformational selection versus induced fit binding paradigms to explain binding-related conformational changes in DNA. Using a combination of atomistic simulations on a subset of representative sequences and mesoscopic simulations at the protein-DNA interactome level, we demonstrate the prevalence of the shape readout model in determining sequence-specificity and of the conformational selection paradigm in defining the general mechanism for binding-related conformational changes in DNA. Our results suggest that the DNA uses a double mechanism to adapt its structure to the protein: it moves along the easiest deformation modes to approach the bioactive conformation, while final adjustments require localized rearrangements at the base-pair step and backbone level. Our study highlights the large impact of B-DNA dynamics in modulating DNA-protein binding. | - |
dc.format.extent | 15 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Elsevier Ltd | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1016/j.jmb.2019.07.021 | - |
dc.relation.ispartof | Journal of Molecular Biology, 2019, vol. 431, p. 3845-3859 | - |
dc.relation.uri | https://doi.org/10.1016/j.jmb.2019.07.021 | - |
dc.rights | cc-by-nc-nd (c) Elsevier Ltd, 2019 | - |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es | - |
dc.source | Articles publicats en revistes (Bioquímica i Biomedicina Molecular) | - |
dc.subject.classification | Genètica molecular | - |
dc.subject.classification | Proteïnes | - |
dc.subject.other | Molecular genetics | - |
dc.subject.other | Proteins | - |
dc.title | How B-DNA dynamics decipher sequence-selective protein recognition | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 691304 | - |
dc.date.updated | 2020-03-26T13:54:48Z | - |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/823830/EU//BioExcel-2 | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Bioquímica i Biomedicina Molecular) |
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File | Description | Size | Format | |
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691304.pdf | 11.81 MB | Adobe PDF | View/Open |
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