海洋低温脂肪酶MLP的同源模建及分子动力学模拟  

Homology Modeling and Molecular Dynamics Simulation Studies of a Marine Low-Temperature Lipase

作　　者：纪晓峰[1,2] 盛军[1] 郑媛[1] 郝建华[1] 孙谧[1] 

机构地区：[1]中国水产科学研究院黄海水产研究所农业部海洋渔业可持续发展重点实验室,山东青岛266071 [2]华中科技大学物理学院生物物理模建小组,武汉430074

出　　处：《生物物理学报》2013年第8期594-602,共9页Acta Biophysica Sinica

基　　金：国家863计划(2011AA090703);国际科技合作与交流专项(2011DFB30250);中国水产科学研究院黄海水产研究所中央级公益性科研院所基本科研业务费专项资金项目(20603022013030和20603022013016)~~

摘　　要：海洋低温脂肪酶(marine low-temperature lipase,MLP,登录号:ADM47601)是一株海洋细菌来源的新型脂肪酶,其具有耐碱性pH的优点,在生物能源、食品加工等行业具有良好的应用前景。作者从MLP的氨基酸序列入手,利用同源模建方法构建其三级结构,并通过Ramachandran图和Profile_3D图对模型的可靠性进行了验证。同时,通过"界面激活"实验和分子动力学模拟,对覆盖在活性位点区的"盖子域"进行了预测和分析。该研究结果将为今后更高性能突变株的获得及该酶空间折叠方式的研究等提供理论指导。The marine low-temperature lipase （MLP, Accession NO.：ADM47601） was obtained from the strain of a marine bacteria. It has the advantages of alkaline pH resistance and has good application prospect in the biological energy, food processing and other industries. In this paper, based on the sequence, a homology model of MLP was constructed by using the multiple templates alignment method. The tool of PROCHECK and Verify_3D were used to check the effectiveness of the model. At the same time, the interface activation experiment and molecular dynamics simulations were used to predict and analyse the lid, which was covered on the active sites. The results of this study will facilitate the higher performance mutant and the research of its folding pattern.

关 键 词：海洋低温脂肪酶 同源模建 分子动力学模拟 

分 类 号：Q61[生物学—生物物理学]