论文标题

核孔复合物作为熵门:理论和模拟

The nuclear pore complex as an entropic gate: theory and simulation

论文作者

Castellano, Mike, Wolf, Steffen, Koslowski, Thorsten

论文摘要

(FG)$ _ N $($ n \ simeq $ 300)的蛋白质链类型CAP在核孔络合物的细胞质侧,该核孔综合体的细胞质侧,将细胞核连接到真核细胞的其余部分。我们研究了使用蒙特卡洛计算机模拟代表这些细丝的三种基本聚合物模型的性质。随机步行和蠕虫链模型无法说明孔的异常大小的选择性,而二维的本质上无序的块共聚物的二维排列(高含量为$α$ helices)与生物化学发现一致。我们预测,蛋白质直径的增加,蛋白质传输的自由能屏障会增加,蛋白质直径的增加,可以使用原子力显微镜或光学镊子对此进行实验探测。

Protein chains of the (FG)$_n$ ($n \simeq$ 300) type cap the cytoplasmatic side of the nucleopore complex, which connects the nucleus to the remainder of an eukaryotic cell. We study the properties of three fundamental polymer models that represent these filaments using Monte Carlo computer simulations. Random walks and the worm like chain model cannot account for the unusual size selectivity of the pore, while a two-dimensional arrangement of intrinsically disordered block copolymers with a high content of $α$-helices is in agreement with the biochemical findings. We predict a linear increase of the free energy barrier of protein transport through the pore with increasing protein diameter, which can be probed experimentally using atomic force microscopy or optical tweezers.

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