Interference between Triplex and Protein Binding to Distal Sites on Supercoiled DNA.
Interference between Triplex and Protein Binding to Distal Sites on Supercoiled DNA.
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DOI：
10.1016/j.bpj.2016.12.034
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发表时间：
2017-02
影响因子：
3.4
通讯作者：
A. Noy;A. Maxwell;S. Harris
中科院分区：
文献类型：
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作者：
A. Noy;A. Maxwell;S. Harris
我们已经探讨了相互依赖的结合的DNA三链体和阻遏蛋白的超螺旋DNA微环上的远端识别位点使用MD模拟。我们观察到，两个配体之间的相互作用，通过它们对DNA模板的影响是由一个微妙的相互作用的DNA力学和静电学，由配体结合诱导的灵活性的变化起着重要的作用，超螺旋可以煽动额外的配体-DNA接触，这将是不可能在简单的线性DNA序列。
We have explored the interdependence of the binding of a DNA triplex and a repressor protein to distal recognition sites on supercoiled DNA minicircles using MD simulations. We observe that the interaction between the two ligands through their influence on their DNA template is determined by a subtle interplay of DNA mechanics and electrostatics, that the changes in flexibility induced by ligand binding play an important role and that supercoiling can instigate additional ligand-DNA contacts that would not be possible in simple linear DNA sequences.