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

被引：2
作者：
Rodriguez, Jessica [1 ,2 ,3 ]
Battistini, Federica [3 ,4 ]
Learte-Aymami, Soraya [1 ,2 ]
Orozco, Modesto [3 ,4 ]
Mascarenas, Jose L. [1 ,2 ]
机构：
[1] Univ Santiago De Compostela, Ctr Singular Invest Quim Biol & Mat Mol CIQUS, Rua Jenaro De La Fuente S-N, Santiago De Compostela 15782, Spain
[2] Univ Santiago De Compostela, Dept Quim Organ, Rua Jenaro De La Fuente S-N, Santiago De Compostela 15782, Spain
[3] Barcelona Inst Sci & Technol BIST, Inst Res Biomed IRB Barcelona, Baldiri Reixac 10-12, Barcelona 08028, Spain
[4] Univ Barcelona, Dept Biochem & Mol Biol, Barcelona 08028, Spain
来源：
RSC CHEMICAL BIOLOGY | 2023年 / 4卷 / 07期
关键词：
BINDING PROTEINS; RECOGNITION; PEPTIDE; COMPLEX; DOMAIN; SIMULATION; SEQUENCES; SELECTION; VERSATILE; DESIGN;
D O I：
10.1039/d3cb00053b
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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.
引用
收藏
页码：486 / 493
页数：8
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