极端酶的分子动力学研究.docVIP

极端酶的分子动力学研究 摘要 与普通微生物相比，极端微生物作为地球上的边缘生命现象，具有特殊的结构与功能和遗传学背景，它在生命起源、系统进化等方面带来很多重要的启示，极大的拓展了人们对生命的认识；而且，由于极端微生物的特殊代谢机制，使一些新的生物技术手段成为可能，各种具有特殊功能的酶类及其它活性物质，在医药、食品、化工、环保等领域有着重大的应用潜力。因此，研究极端微生物不仅为更好的认识生命现象、探索生命的进化和起源提供了一个极好的理论基础，而且也为生物技术的进一步发展提供了一个更广阔的资源基地。RMSD）、回旋半径及末端距等值发现嗜热酶的结构较非嗜热酶更具刚性。最后文中还分析了二者氨基酸残基的柔性。能形成多的盐桥及氢键和整体结构的刚性很可能是嗜热酶在高温环境中维持其结构稳定的主要原因。 关键词: 嗜热酶；嗜冷酶；分子动力学模拟；嗜热机理 Abstract Microbial extremophiles compared with ordinary, as earth on the edge of life phenomenon, has the special structure and function and genetic background, it in the origin of life, evolution of system etc. bring a lot of important enlightenment, greatly expanding the people understanding to life; but, because of the extreme microorganism special metabolism mechanism, make some new biotechnology means possible, a variety of special features of the enzymes and other substances, in the pharmaceutical, food, chemical industry, environmental protection and other fields has great application potential of . Therefore, study the extreme microorganisms not only to better understand the phenomenon of life, exploring the evolution and the origin of life provides a good theoretical basis, but also for the biological technology further development provides a broader resource base. In order to further explore the thermophilic enzyme and psychrophilic enzyme properties, this paper by means of molecular dynamics simulation in atomic scale analysis of three types of malate dehydrogenase molecular dynamics. The results found that the thermophilic enzyme salt bridge formed by hydrogen bonding and significantly more than the psychrophilic enzymes and mesophilic enzymes, by comparing the three ( thermophilic and non thermophilic ) of the root-mean-square deviation ( RMSD ), radius of gyration and end to end distance equivalent found thermophilic enzyme structure of thermophilic enzymes more rigid. Finally, this paper also analyzes the two amino acid residues of flexible. Can form more hydrogen