高等学校化学学报 ›› 2011, Vol. 32 ›› Issue (8): 1838.

• 研究论文 • 上一篇    下一篇

进化树指导的腺病毒六邻体家族蛋白的快速建模

袁晓辉1,2,王迎晨2,曲章义2,任家毅1,3,王靖飞4,郭莹莹4,王雅贤3,华东3,吴晓敏5,杨志伟5,高虹2   

  1. 1.  中国医学科学院北京协和医学院病原生物学研究所, 北京 100730;
    2.  哈尔滨医科大学公共卫生学院卫生微生物学教研室, 哈尔滨 150081; 
    3.  黑龙江中医药大学基础医学院微生物与免疫学研究室, 哈尔滨 150040; 
    4.  中国农业科学院哈尔滨兽医研究所, 哈尔滨 150001; 
    5.  东北林业大学森林植物生态学教育部重点实验室, 哈尔滨 150040
  • 收稿日期:2010-09-27 修回日期:2010-12-03 出版日期:2011-08-10 发布日期:2011-07-19
  • 通讯作者: 曲章义 E-mail:qurainbow@yahoo.com.cn
  • 基金资助:

    国家自然科学基金(批准号:  30771909)、教育部博士点联合资助项目(批准号:  20070226007)、黑龙江省自然科学基金重点项目(批准号:  ZJY0701)和黑龙江省教育厅科学技术项目(批准号:  11521172) 资助.

Novel Rapid  Molecular Modeling Method Based on Evolutional Tree for Human Adenovirus Hexon Proteins Family

YUAN Xiao-Hui1,2, WANG Ying-Chen2, QU Zhang-Yi2*, REN Jia-Yi1,3, WANG Jing-Fei4, GUO Ying-Ying4, WANG Ya-Xian3, HUA Dong3, WU Xiao-Min5, YANG Zhi-Wei5, GAO Hong2   

  1. 1.  Institute of Pathogen Biology, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100730, China;
    2.  Department of Hygienic Microbiology, School of Public Health, Harbin Medical University, Harbin 150081, China;
    3.  Department of Microbiology and Immunology, Institute of Basic Medicine, Heilongjiang University of Chinese Medicine, Harbin 150040, China;
    4.  Harbin Veterinary Research Institute, Chinese Academy of Agricultural Sciences, Harbin 150040, China;
    5.  Key Laboratory of Forest Plant Ecology, Ministry of Education, Northeast Forestry University, Harbin 150040, China
  • Received:2010-09-27 Revised:2010-12-03 Online:2011-08-10 Published:2011-07-19
  • Contact: QU Zhang-Yi E-mail:qurainbow@yahoo.com.cn
  • Supported by:

    国家自然科学基金(批准号:  30771909)、教育部博士点联合资助项目(批准号:  20070226007)、黑龙江省自然科学基金重点项目(批准号:  ZJY0701)和黑龙江省教育厅科学技术项目(批准号:  11521172) 资助.

摘要: 为实现对人腺病毒六邻体家族蛋白进行快速准确的结构建模, 本研究发展了一种新的基于进化树的预测蛋白质家族中一系列分子三维空间结构的快速建模方法. 首先利用邻接法对7株D亚属人腺病毒的六邻体序列构建了基于距离的进化树, 并根据进化树所提供的信息, 确定最佳六邻体家族蛋白渐进式建模路径, 然后利用Modeler与Charmm程序实现六邻体家族蛋白的快速建模. 新的建模方法与传统方法相比, 所需要的计算量大大减少, 结果经过结构评估以及与传统方法建模所得到的结构进行比较,证实基于进化树的快速模建结果是可靠的. 人腺病毒六邻体家族蛋白的快速建模, 对于实现快速高通量的表位预测及开发多价人腺病毒疫苗与腺病毒分型诊断试剂都具有非常重大的意义.

关键词: 同源建模, 进化树, 人腺病毒, 六邻体家庭蛋白

Abstract: Human Adenoviruses (HAdVs) are responsible for many infectious diseases. 54 different serotypes of HAdVs have been identified so far, and the diversity of HAdVs has brought some difficulties to clinical diagnosis and therapy. In this study a novel rapid modeling method for proteins family has been developed on the basis of evolutionary tree, and by this method 7 hexon homologous proteins from D sub-specie Human Adenoviruses (HAdVs) were modeled. An evolutionary tree of these 7 hexon protein amino acid sequences was constructed by neighbor-joining (NJ) algorithm; Based on the information from the evolutional tree, an optimal modeling route was determined to accelerate the modeling of these hexons; And then, rapid modeling of hexons was automatically completed using homology modeling method within MODELER and CHARMM program; and the sturcures were proved to be acceptable by two assessment methods. Compared with the traditional scheme, this novel method can significantly reduce the amount of calculation. Every hexon structure model produced by this novel rapid modelling method could be reliably superimposed to the corresponding model produced by the traditional method. The rapid modeling of HAdVs hexon protein is very important to the molecular designing of HAdVs vaccines and the development of rapid HAdVs diagnostic typing agents.

Key words: Homology modeling, Evolutional tree, Human Adenovirus(HAdV), Hexon proteins family

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