进化树指导的腺病毒六邻体家族蛋白的快速建模  

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

作　　者：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] 

机构地区：[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

出　　处：《高等学校化学学报》2011年第8期1838-1844,共7页Chemical Journal of Chinese Universities

基　　金：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);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,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,需要的计算量大大减少,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建模结果是可靠的.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重大的意义.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 was 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 he-xons 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.

关 键 词：同源建模 进化树 人腺病毒 六邻体家庭蛋白 

分 类 号：O641[理学—物理化学] R373.1[理学—化学]