Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA

We report the modelling of the DNA complex of an artificial miniprotein composed of two zinc finger modules and an AT-hook linking peptide. The computational study provides for the first time a structural view of these types of complexes, dissecting interactions that are key to modulate their stabil...

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Detalles Bibliográficos
Autores principales: Rodriguez, Jessica, Battistini, Federica, Learte-Aymamí, Soraya, Orozco, Modesto, Mascareñas, José L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10320839/
https://www.ncbi.nlm.nih.gov/pubmed/37415868
http://dx.doi.org/10.1039/d3cb00053b
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author Rodriguez, Jessica
Battistini, Federica
Learte-Aymamí, Soraya
Orozco, Modesto
Mascareñas, José L.
author_facet Rodriguez, Jessica
Battistini, Federica
Learte-Aymamí, Soraya
Orozco, Modesto
Mascareñas, José L.
author_sort Rodriguez, Jessica
collection PubMed
description We report the modelling of the DNA complex of an artificial miniprotein composed of two zinc finger modules and an AT-hook linking peptide. The computational study provides for the first time a structural view of these types of complexes, dissecting interactions that are key to modulate their stability. The relevance of these interactions was validated experimentally. These results confirm the potential of this type of computational approach for studying peptide–DNA complexes and suggest that they could be very useful for the rational design of non-natural, DNA binding miniproteins.
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spelling pubmed-103208392023-07-06 Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA Rodriguez, Jessica Battistini, Federica Learte-Aymamí, Soraya Orozco, Modesto Mascareñas, José L. RSC Chem Biol Chemistry We report the modelling of the DNA complex of an artificial miniprotein composed of two zinc finger modules and an AT-hook linking peptide. The computational study provides for the first time a structural view of these types of complexes, dissecting interactions that are key to modulate their stability. The relevance of these interactions was validated experimentally. These results confirm the potential of this type of computational approach for studying peptide–DNA complexes and suggest that they could be very useful for the rational design of non-natural, DNA binding miniproteins. RSC 2023-05-19 /pmc/articles/PMC10320839/ /pubmed/37415868 http://dx.doi.org/10.1039/d3cb00053b Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Rodriguez, Jessica
Battistini, Federica
Learte-Aymamí, Soraya
Orozco, Modesto
Mascareñas, José L.
Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
title Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
title_full Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
title_fullStr Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
title_full_unstemmed Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
title_short Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
title_sort molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with dna
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10320839/
https://www.ncbi.nlm.nih.gov/pubmed/37415868
http://dx.doi.org/10.1039/d3cb00053b
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