Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
Literature Information
Publication Date
2023-05-19
DOI
10.1039/D3CB00053B
Impact Factor
0
Authors
Soraya Learte-Aymamí, José L. Mascareñas
View Original
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.
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