小菜蛾性信息素与性信息素结合蛋白、受体蛋白结合机理研究  

Binding mechanisms of sex pheromone with pheromone binding and receptor proteins in Plutella xylostella

作　　者：李玉华[1] 邓培渊[2] 刘宇邈[1] 雷志华[1] 

机构地区：[1]郑州师范学院生命科学学院,郑州450044 [2]郑州师范学院生物物种资源研究中心,郑州450044

出　　处：《南方农业学报》2016年第6期928-933,共6页Journal of Southern Agriculture

基　　金：河南省基础与前沿技术研究计划项目(132300410355);郑州师范学院校级科研项目(2012076)

摘　　要：【目的】研究小菜蛾性信息素与性信息素结合蛋白、受体蛋白之间作用的关键氨基酸残基和作用力类型,揭示小菜蛾识别性信息素的分子机制,为开发新型性诱剂和小菜蛾的无害化防治提供新思路。【方法】运用Discovery Studio 2.5对小菜蛾性信息素结合蛋白Pxyl PBP2和受体蛋白Pxyl OR4进行同源建模,运用程序包中Lib Dock模块进行分子对接,运用Calculate Energy模块计算复合物结合自由能,分析性信息素Z9-14∶AC与Pxyl PBP2和Pxyl OR4的结合模式及相互作用力。【结果】Thr9是Pxyl PBP2与Z9-14∶AC形成氢键的关键氨基酸残基,Z9-14∶AC易与Pxyl OR4中的Leu残基产生疏水作用力;Pxyl PBP2与Z9-14∶AC结合的主要驱动力是静电力,Pxyl OR4与Z9-14∶AC结合的主要驱动力是范德华力,溶剂化能均抑制Z9-14∶AC与Pxyl PBP2和Z9-14∶AC与Pxyl OR4的结合。【结论】小菜蛾性信息素受体蛋白和性信息素结合蛋白在识别和结合性信息素分子方面存在明显差异,性信息素受体蛋白与性信息素反应更灵敏、形成的复合物更稳定。[Objective]The present experiment was conducted to reveal molecular mechanism of recognition of sex pheromone by studying key amino acid residues and interaction force types among sex pheromone binding protein, recep- tor protein and sex pheromone of Plutella xylostella, in order to provide new ideas for development of new sex lures and harmless control of Plutella xylostella. [Method]The binding mode and interactions between Z9-14：AC and any of PxylPBP2 and PxylOR4 were analyzed through the molecular docking with LibDock module and the free energy calculation with Cal- culate Energy module of Discovery Studio 2.5 software. [ Resuh]Thr9 was responsible for the formation of hydrogen bond between Z9-14：AC and PxylPBP2. Besides, Z9-14：AC tended to produce hydrophobic interaction with Leu residues. The main driving force of the docking between Z9-14：AC and PxylPBP2 was electrostatic energy, while the main driving force of the docking between Z9-14：AC and PxylOR4 was van der Waals energy, hut the binding of Z9-14：AC and PxylPBP2 as well as Z9-14：AC and PxylOR4 were suppressed by solvation energy. [Conclusion]There are significant differences in the recognition and combination of sex pheromone molecules between the sex pheromone receptor protein, and sex pheromone binding protein in diamondback moth, as the former protein responds to sex pheromone more sensitively, and the compound is more stable.

关 键 词：小菜蛾 性信息素 分子对接 结合自由能 

分 类 号：S433.4[农业科学—农业昆虫与害虫防治]