论文标题
蛋白质诱导的脂质双层变形对蛋白质形状的依赖性
Dependence of protein-induced lipid bilayer deformations on protein shape
论文作者
论文摘要
膜蛋白通常会变形周围的脂质双层膜,该膜在膜蛋白的功能,调节和组织中起重要作用。膜弹性理论提供了蛋白质诱导的脂质双层变形的精美描述,其中所有物理参数都可以直接从实验中确定。蛋白质诱导的脂质双层变形的膜弹性理论的分析处理主要集中在具有圆形横截面的理想化蛋白质形状上,以及具有非圆形横截面的蛋白质的扰动溶液。我们在这里开发了一种边界值法(BVM),该方法允许构建非纤维蛋白横截面的蛋白质诱导的脂质双层变形的非扰动分析溶液,以沿双层蛋白界面沿恒定和可变边界条件进行构建。我们将此BVM应用于蛋白质诱导的脂质双层厚度变形。我们的BVM重现了具有圆形横截面且产量的蛋白质的可用分析溶液,具有非圆形横截面的蛋白质,与数值有限的元素溶液具有极好的一致性。在此基础上,我们制定了与一般蛋白质形状相关的双层厚度变形能的简单分析近似,并表明,对于与旋转对称性的适度偏差,该分析近似与BVM溶液非常吻合。使用BVM,我们调查了蛋白质诱导的脂质双层厚度变形对蛋白质形状的依赖性,从而探讨了蛋白质形状和双层厚度变形的偶联如何影响蛋白质的寡聚和蛋白质构象状态的过渡。
Membrane proteins typically deform the surrounding lipid bilayer membrane, which can play an important role in the function, regulation, and organization of membrane proteins. Membrane elasticity theory provides a beautiful description of protein-induced lipid bilayer deformations, in which all physical parameters can be directly determined from experiments. Analytic treatments of the membrane elasticity theory of protein-induced lipid bilayer deformations have largely focused on idealized protein shapes with circular cross section, and on perturbative solutions for proteins with non-circular cross section. We develop here a boundary value method (BVM) that permits the construction of non-perturbative analytic solutions of protein-induced lipid bilayer deformations for non-circular protein cross sections, for constant as well as variable boundary conditions along the bilayer-protein interface. We apply this BVM to protein-induced lipid bilayer thickness deformations. Our BVM reproduces available analytic solutions for proteins with circular cross section and yields, for proteins with non-circular cross section, excellent agreement with numerical, finite element solutions. On this basis, we formulate a simple analytic approximation of the bilayer thickness deformation energy associated with general protein shapes and show that, for modest deviations from rotational symmetry, this analytic approximation is in good agreement with BVM solutions. Using the BVM, we survey the dependence of protein-induced lipid bilayer thickness deformations on protein shape, and thus explore how the coupling of protein shape and bilayer thickness deformations affects protein oligomerization and transitions in protein conformational state.