【摘要】 通过同源建模获得抗癌晶体蛋白Parasporin-3的初始三维结构,利用分子动力学方法优化之。分析模建分子的结构,最后利用Ramachandran plot,结构匹配等方法评价模型。结果显示Parasporin-3蛋白模型分子具有3个结构域,与经典的杀虫晶体蛋白结构相似,蛋白模型分子中的键长、键角以及二面角的分布合理,与模版蛋白的主链α碳原子的均方根差RMSD值为0.486751,在合理范围之内,表明Parasporin-3蛋白模型良好。并对Ⅲ型抗癌晶体蛋白的两种蛋白的预测结构进行了比较。为抗癌晶体蛋白的抗癌的分子机制及其定向改造提供信息。更多还原

【Abstract】 The initial three dimensional structures of Parasporin-3(Cry41Aa1),the third class cancer cell-killing crystal protein from Bacillus thuringiensis,were constructed using the homologous modelling,and were optimized by molecular mechanics method.The structure of the model molecules was analyzed.Finally in order to appraise the quality of these models,the methods such as Ramachandran plot and structural matching were used.This shows that the obtained model molecules of Parasporin-3 have three structure domains.The results in this study have laid a good foundation for the research of anticancer mechanism and rational design of parasporn-3.更多还原