Lopera Jaime Arce, Sturgis James N, Duneau Jean-Pierre
Laboratoire d'ingénierie des Systèmes Macromoléculaires (UPR 9027), Institut de Biologie Structurale et Microbiologie, 31 Chemin Joseph Aiguier, 13402 Marseille Cedex 20, France.
J Mol Graph Model. 2005 Jan;23(4):305-15. doi: 10.1016/j.jmgm.2004.10.004.
Projection of transmembrane helices using a Uniform B-spline Algorithm is a tool for the visualization of interactions between helices in membrane proteins. It allows the user to generate projections of 3D helices, no matter what their deviations from a canonical helix might be. When associated with adapted coloring schemes it facilitates the comprehension of helix-helix interactions. Examples of transmembrane proteins were chosen to illustrate the advantages that this method provides. In the glycophorin A dimer we can easily appreciate the structural features behind homodimerisation. Using the structure of the fumarate reductase we analyze the contact surfaces inside a helical bundle and thanks to structures from a molecular dynamics simulation we see how modifications in structure and electrostatics relate to their interaction. We propose the use of this tool as an aid to the visualization and analysis of transmembrane helix surfaces and properties.
使用均匀B样条算法预测跨膜螺旋是一种用于可视化膜蛋白中螺旋间相互作用的工具。它允许用户生成三维螺旋的投影，无论它们与标准螺旋有何偏差。当与适配的着色方案结合时，它有助于理解螺旋-螺旋相互作用。选择跨膜蛋白的例子来说明该方法的优势。在血型糖蛋白A二聚体中，我们可以很容易地理解同二聚化背后的结构特征。利用延胡索酸还原酶的结构，我们分析了螺旋束内部的接触面，并且由于分子动力学模拟的结构，我们看到结构和静电的变化如何与它们的相互作用相关。我们建议使用这个工具来辅助可视化和分析跨膜螺旋表面及其性质。
