| 苏云金芽孢杆菌Ⅳ型抗癌晶体蛋白的分子模建 |
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| 引用本文： | 何伟,张同武,林毅. 苏云金芽孢杆菌Ⅳ型抗癌晶体蛋白的分子模建[J]. 生物信息学, 2009, 7(4): 320-322,325 |
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| 作者姓名： | 何伟 张同武 林毅 |
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| 作者单位： | 华侨大学生物工程与技术系,工业生物技术福建省高校重点实验室,福建,泉州,362021 |
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| 基金项目： | 国家自然科学基金，福建省高等学校新世纪优秀人才支持计划资助基金 |
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| 摘 要： | 通过同源建模得到了抗癌晶体蛋白Parasporin-4的初始三维结构，利用分子动力学的方法对初始三维结构进行优化，同时分析了模建分子的结构，最后利用Ramachandran plot，结构匹配等方法对模型进行评价。结果显示得到的Parasporin-4结构是具有三个结构域，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a碳原子的均方根差RMSD值为0．547742，在合理范围之内，表明Parasporin-4蛋白模型良好。研究结果为抗癌晶体蛋白的抗癌的分子机制及其定向改造提供了结构信息。
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| 关 键 词： | 抗癌晶体蛋白 空间结构 同源建模 分子动力学模拟 |
Structural characterization of cancer cell-killing crystal protein Parasporin-4 from Bacillus thuringiensis |
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| HE Wei,ZHANG Tong-Wu,LIN Yi. Structural characterization of cancer cell-killing crystal protein Parasporin-4 from Bacillus thuringiensis[J]. Chinese Journal of Bioinformatics, 2009, 7(4): 320-322,325 |
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| Authors: | HE Wei ZHANG Tong-Wu LIN Yi |
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| Affiliation: | ( Department of Bioengineering ＆ Biotechnology, HuaQiao University, Key Laboratory of Industrial Biotechnology of Fujian Province University, Quanzhou 362021, China ) |
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| Abstract: | The initial three dimensional structure of Parasporin-4(Cry45Aa),the fourth class cancer cell-killing crystal protein from Bacillus thuringiensis,was constructed using homologous modeling, and was optimized by molecular mechanics method. The structure of the model molecular was analyzed. The simulated structure was evaluated using Ramachandran plot and structural matching. It showed that the obtained model structure of Parasporin-4 was reasonable. The results in this paper made a good foundation for the research of anticancer mechanism and rational design of parasporin-4. |
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| Keywords: | parasporin-4 three dimensional structures homology modeling Molecular Dynamics Simulation |
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