Issue 7, 2023

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

Abstract

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
12 Apr 2023
Accepted
09 May 2023
First published
19 May 2023
This article is Open Access
Creative Commons BY-NC license

RSC Chem. Biol., 2023,4, 486-493

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

J. Rodriguez, F. Battistini, S. Learte-Aymamí, M. Orozco and J. L. Mascareñas, RSC Chem. Biol., 2023, 4, 486 DOI: 10.1039/D3CB00053B

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements