A model-free method for extracting interaction potential between protein molecules using small-angle X-ray scattering
A model-free method for extracting interaction potential between protein molecules using small-angle X-ray scattering
复制标题
利用小角 X 射线散射提取蛋白质分子间相互作用势的无模型方法
DOI：
10.1016/j.molliq.2014.03.014
复制
发表时间：
2014
影响因子：
6
通讯作者：
Keiko Nishikawa
中科院分区：
文献类型：
--
作者：
Tomonari Sumi;Hiroshi Imamur;TakeshiMorita;Keiko Nishikawa
小角X射线散射已被用于探测溶液中蛋白质-蛋白质相互作用。传统的方法需要输入具有可变/不变参数的建模势来再现实验结构因子。基于液态积分方程理论，提出了一种利用小角X射线散射实验数据提取溶液中蛋白质分子间有效相互作用势超过硬球势的部分的无模型方法.无模型方法的可靠性通过应用于不同溶液条件下的浓溶菌酶溶液的实验导出的结构因子来测试[Javid等人，Phys.Rev.Lett.99，028101（2007），Schroer等人，106，178102（2011）]。用无模型法计算的结构因子与实验结果吻合较好。无模型的方法提供了以下图片的溶菌酶溶液：这些是稳定的接触对配置，大的激活障碍，对他们的形成，并筛选库仑排斥带电蛋白质之间。此外，无模型方法将有助于验证胶体系统模型是否可用于描述蛋白质-蛋白质相互作用。
A small-angle X-ray scattering has been used to probe protein–protein interaction in solution. Conventional methods need to input modeled potentials with variable/invariable parameters to reproduce the experimental structure factor. In the present study, a model-free method for extracting the excess part of effective interaction potential between protein molecules in solutions over an introduced hard-sphere potential by using experimental data of small-angle X-ray scattering is presented on the basis of liquid-state integral equation theory. The reliability of the model-free method is tested by the application to experimentally derived structure factors for dense lysozyme solutions with different solution conditions [Javid et al., Phys. Rev. Lett.99, 028101 (2007), Schroer et al., Phys. Rev. Lett.106, 178102 (2011)]. The structure factors calculated from the model-free method agree well with the experimental ones. The model-free method provides the following picture of the lysozyme solution: these are the stabilization of contact-pair configurations, large activation barrier against their formations, and screened Coulomb repulsion between the charged proteins. In addition, the model-free method will be useful to verify whether or not a model for colloidal system is acceptable to describing protein–protein interaction.