Coupled MD simulations and NMR reveal that the intrinsically disordered domain of the breast-cancer susceptibility 1 protein (BRCA1) binds head-on to DNA double-strand ends

Kateryna Che,Thomas Kress,Michał Górka,Szymon Żerko,Wiktor Kozminski,Dennis Kurzbach

Journal of Magnetic Resonance Open（2022）

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摘要

•BRCA1 binds directly to DNA double-strand ends.•Interactions with the DNA major grove is not found sufficient for complex stabilization.•Integrative NMR and MD simulations can reveal functions of fuzzy complexes.

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关键词

DNA,BRCA1,Molecular docking

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