Interaction of tetramer protein with carbon nanotubes
Interaction of tetramer protein with carbon nanotubes
复制标题
四聚体蛋白与碳纳米管的相互作用
DOI：
10.1016/j.apsusc.2018.09.057
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发表时间：
2019
影响因子：
6.7
通讯作者：
Mo Dan
中科院分区：
文献类型：
--
作者：
Zeng Zhuotong;Chen Ming;Liang Jie;Xiao Rong;Zeng Guangming;Zhang Jiachao;Liu Zhifeng;Chen Anwei;Zhou Yaoyu;Mo Dan
碳纳米管可以与蛋白质或酶相互作用，渗透到活体生物体的细胞膜，这可能会影响体内蛋白质-蛋白质的相互作用。在这里，构建了三个由红曲霉四链酯酶组成的结构模型，通过分子动力学模拟来研究蛋白质-蛋白质相互作用和单壁碳纳米管取向的变化。结合亲和力和不同蛋白质链的质心距离的计算表明，蛋白质与蛋白质之间的相互作用非常紧密，从而保护了蛋白质不被羧化的或原始的单壁碳纳米管分离。原始的和羧化的单壁碳纳米管都会引起酯酶的结构变化。此外，当SWCNT位于酯酶附近时，功能化(如羧化)可以调节SWCNT的取向。
Carbon nanotubes can interact with proteins or enzymes upon penetration into cell membranes of living organisms that may affect the protein-protein interactionsin vivo. Here, three structural models composed of four-chain esterase fromHungatella hathewayiwith and without pristine or carboxylated single-walled carbon nanotube (SWCNT) are constructed to investigate the changes in protein-protein interactions and SWCNT orientations by molecular dynamics simulations. The results show that the protein-protein interact very tightly to protect them from the separation by the carboxylated or pristine SWCNTs, as shown by the calculations of binding affinity and the distances between the centers of mass of different protein chains. Both pristine and carboxylated SWCNTs cause structural changes in the esterase. In addition, functionalization (e.g., carboxylation) can regulate the SWCNT orientation when positioned near the esterase.