人3型腺病毒六邻体蛋白同源建模及其进化轨迹分析

高等学校化学学报 ›› 2009, Vol. 30 ›› Issue (8): 1636.

人3型腺病毒六邻体蛋白同源建模及其进化轨迹分析

袁晓辉¹, 曲章义¹, 吴晓敏², 王迎晨¹, 魏凤香¹, 张鸿彦¹, 刘蕾¹, 杨志伟²

1. 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;
2. 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:2008-11-06 出版日期:2009-08-10 发布日期:2009-08-10
通讯作者: 曲章义, 男, 博士, 教授, 博士生导师, 主要从事呼吸道病毒的分子生物学研究. 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)和黑龙江省自然科学基金重点项目(批准号: ZJY0701)资助.

Homology Modeling and Evolution Trace Analysis of Human Adenovirus Type 3 Hexon

YUAN Xiao-Hui¹, QU Zhang-Yi^1*, WU Xiao-Min², WANG Ying-Chen¹, WEI Feng-Xiang¹, ZHANG Hong-Yan¹, LIU Lei¹, YANG Zhi-Wei²

1. School of Public Health, Harbin Medical University, Harbin 150081, China;
2. Key Laboratory of Forest Plant Ecology, Ministry of Education, Northeast Forestry University, Harbin 150040, China

Received:2008-11-06 Online:2009-08-10 Published:2009-08-10
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)和黑龙江省自然科学基金重点项目(批准号: ZJY0701)资助.

摘要/Abstract

摘要：

用同源建模方法构建了人3型腺病毒六邻体完整的空间结构, 对此结构模型的合理性进行检验, 并通过基于多重序列比对的进化轨迹分析发现, 不同型别的人腺病毒六邻体型特异性序列主要存在于六邻体的塔区上, 结合二级结构分析, 预测位于六邻体塔区表面的几个环区是型特异性中和表位的所在区域.

关键词: 同源建模; 进化轨迹; 中和表位; 六邻体

Abstract:

The human adenovirus(HAdV) can cause a broad spectrum of human infective diseases. The major coat protein of HAdV is hexon which processes a mass of neutralizing epitopes. The complete amino acid sequence of hexon was directly obtained by sequencing hexon PCR product of HAdV type 3 which was isolated in local hospital. Homology modeling was utilized to construct a three-dimensional(3D) hexon model, and it was subsequently refined by molecular mechanics(MM) and molecular dynamics(MD) simulations. The neutralizing epitopes were analyzed by evolutionary trace(ET) approach including multiple sequence alignment(MSA), sites conservatism calculation and 3D mapping of conservatism. It was found that the sites conservatism was lower closer to the tower region and the major variable sites of hexon were located in the tower region. These results indicated that the type-specific neutralizing epitopes of hexon lied in the surface loop regions of hexon tower.

Key words: Homology modeling; Evolution trace; Neutralizing epitope; Hexon

TrendMD:

袁晓辉, 曲章义, 吴晓敏, 王迎晨, 魏凤香, 张鸿彦, 刘蕾, 杨志伟. 人3型腺病毒六邻体蛋白同源建模及其进化轨迹分析. 高等学校化学学报, 2009, 30(8): 1636.

YUAN Xiao-Hui, QU Zhang-Yi*, WU Xiao-Min, WANG Ying-Chen, WEI Feng-Xiang, ....... Homology Modeling and Evolution Trace Analysis of Human Adenovirus Type 3 Hexon. Chem. J. Chinese Universities, 2009, 30(8): 1636.

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