Kuang Yaming Honors School, Nanjing University, Nanjing 210023, China.
Department of Polymer Science and Engineering, Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.
J Phys Chem B. 2024 May 16;128(19):4735-4740. doi: 10.1021/acs.jpcb.4c01019. Epub 2024 May 5.
Arc-shaped BIN/Amphiphysin/Rvs (BAR) domain proteins generate curvature by binding to membranes and induce membrane tubulation at sufficiently large protein coverages. For the amphiphysin N-BAR domain, Le Roux et al., , , 6550, measured a threshold coverage of 0.44 ± 0.097 for nanotubules emerging from the supported lipid bilayer. In this article, we systematically investigate membrane tubulation induced by arc-shaped protein-like particles with coarse-grained modeling and simulations and determine the threshold coverages at different particle-particle interaction strengths and membrane spontaneous curvatures. In our simulations, the binding of arc-shaped particles induces a membrane shape transition from spherical vesicles to tubules at a particle threshold coverage of about 0.5, which is rather robust to variations of the direct attractive particle interactions or spontaneous membrane curvature in the coarse-grained model. Our study suggests that threshold coverages of around or slightly below 0.5 are a general requirement for membrane tubulation by arc-shaped BAR domain proteins.
弧形双域/ amphiphysin/Rvs (BAR) 结构域蛋白通过与膜结合产生曲率,并在足够大的蛋白覆盖率下诱导膜管状化。对于 amphiphysin N-BAR 结构域,Le Roux 等人 , , 6550 ,测量了从支撑脂质双层中出现的纳米管的临界覆盖率为 0.44 ± 0.097。在本文中,我们通过粗粒化建模和模拟系统地研究了弧形蛋白样颗粒诱导的膜管状化,并确定了不同颗粒-颗粒相互作用强度和膜自发曲率下的临界覆盖率。在我们的模拟中,弧形颗粒的结合诱导了从球形囊泡到管状的膜形状转变,在颗粒的临界覆盖率约为 0.5 时,这对于粗粒化模型中直接吸引颗粒相互作用或自发膜曲率的变化相当稳健。我们的研究表明,对于弧形 BAR 结构域蛋白诱导的膜管状化,临界覆盖率约为 0.5 或略低于 0.5 是一个普遍要求。