CAP-DNA 寡聚物中的轴曲率和配体诱导弯曲
Axis curvature and ligand induced bending in the CAP-DNA oligomers.
作者信息
Dixit Surjit B, Beveridge David L
出版信息
Biophys J. 2005 Jan;88(1):L04-6. doi: 10.1529/biophysj.104.053058. Epub 2004 Nov 19.
Abstract
The origin of DNA axis curvature in complexes of the catabolite activator protein with DNA is studied using multiple molecular dynamics (MD) simulations of the free and protein-bound forms of the DNA. The results are compared to available solution and crystal structure data. The MD simulations reproduce the experimentally observed bend in DNA and indicate that ∼40% of the bending observed in the complex is intrinsic to the DNA sequence, whereas ∼60% is induced on protein binding. The MD provides a model for the dynamical structure of the DNA free in solution and for ligand-induced bending.
摘要
利用DNA的游离形式和蛋白质结合形式的多个分子动力学（MD）模拟，研究了分解代谢物激活蛋白与DNA复合物中DNA轴曲率的起源。将结果与现有的溶液和晶体结构数据进行比较。分子动力学模拟重现了实验观察到的DNA弯曲，并表明复合物中观察到的约40%的弯曲是DNA序列固有的，而约60%是在蛋白质结合时诱导产生的。分子动力学为溶液中游离DNA的动态结构以及配体诱导的弯曲提供了一个模型。
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