Chem. J. Chinese Universities ›› 2009, Vol. 30 ›› Issue (8): 1636.

• Articles • Previous Articles     Next Articles

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

YUAN Xiao-Hui1, QU Zhang-Yi1*, WU Xiao-Min2, WANG Ying-Chen1, WEI Feng-Xiang1, ZHANG Hong-Yan1, LIU Lei1, YANG Zhi-Wei2   

  1. 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.

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

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