Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20878, USA.
Centre for Molecular Simulations and Department of Biological Sciences, University of Calgary, Calgary T2N 1N4, Canada.
Acta Crystallogr D Struct Biol. 2018 Dec 1;74(Pt 12):1219-1232. doi: 10.1107/S2059798318011749. Epub 2018 Nov 30.
Neutron reflectivity (NR) has emerged as a powerful technique to study the structure and behavior of membrane proteins at planar lipid interfaces. Integral membrane proteins (IMPs) remain a significant challenge for NR owing to the difficulty of forming complete bilayers with sufficient protein density for scattering techniques. One strategy to achieve high protein density on a solid substrate is the capture of detergent-stabilized, affinity-tagged IMPs on a nitrilotriacetic acid (NTA)-functionalized self-assembled monolayer (SAM), followed by reconstitution into the lipids of interest. Such protein-tethered bilayer lipid membranes (ptBLMs) have the notable advantage of a uniform IMP orientation on the substrate. Here, NR is used to provide a structural characterization of the ptBLM process from formation of the SAM to capture of the detergent-stabilized IMP and lipid reconstitution. The mitochondrial outer-membrane voltage-dependent anion channel (VDAC), which controls the exchange of bioenergetic metabolites between mitochondria and the cytosol, was used as a model β-barrel IMP. Molecular dynamics simulations were used for comparison with the experimental results and to inform the parameters of the physical models describing the NR data. The detailed structure of the SAM is shown to depend on the density of the NTA chelating groups. The relative content of detergent and protein in surface-immobilized, detergent-stabilized VDAC is measured, while the reconstituted lipid bilayer is shown to be complete to within a few percent, using the known atomic structure of VDAC. Finally, excess lipid above the reconstituted bilayer, which is of consequence for more indirect structural and functional studies, is shown to be present.
中子反射率 (NR) 已成为研究平面脂界面中膜蛋白结构和行为的强大技术。由于难以形成具有足够散射技术蛋白密度的完整双层,完整膜蛋白 (IMP) 仍然是 NR 的一个重大挑战。在固体底物上实现高蛋白密度的一种策略是将去污剂稳定的、带有亲和标签的 IMP 捕获在氮三乙酸 (NTA) 功能化的自组装单层 (SAM) 上,然后再重新构成感兴趣的脂质。这种蛋白固定的双层脂膜 (ptBLM) 的显著优点是在底物上具有均匀的 IMP 取向。在这里,NR 用于提供从 SAM 的形成到去污剂稳定的 IMP 的捕获和脂质再构成的 ptBLM 过程的结构特征。线粒体外膜电压依赖性阴离子通道 (VDAC) 作为一种模型β桶 IMP 被用于控制线粒体和细胞质之间生物能代谢物的交换。使用分子动力学模拟与实验结果进行比较,并为描述 NR 数据的物理模型的参数提供信息。SAM 的详细结构被证明取决于 NTA 螯合基团的密度。表面固定的、去污剂稳定的 VDAC 中的去污剂和蛋白的相对含量被测量,而重建的脂质双层被证明是完整的,误差在百分之几以内,这是使用 VDAC 的已知原子结构得出的。最后,重建双层上方存在多余的脂质,这对更间接的结构和功能研究具有重要意义。