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首页> 外文会议>Asia-Pacific Bioinformatics Conference(APBC 2003); 200302; Adelaide(AU) >Prediction of 3D Structure of Envelope Glycoprotein of Sri Lanka Strain of Japanese Encephalitis Virus
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Prediction of 3D Structure of Envelope Glycoprotein of Sri Lanka Strain of Japanese Encephalitis Virus

机译：乙型脑炎病毒斯里兰卡株的糖蛋白3D结构预测

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This paper describes knowledge-based homology modeling studies of envelope glycoprotein (Egp) of Sri Lanka strain of Japanese encephalitis virus (JEVS). JEVS is a mosquito-borne Flavivirus, which is an important human pathogen. The Egp is a major structural antigen and is responsible for viral hemagglutination and neutralisation. The 3D structure of 399 amino acids from the extra cellular domain of Egp of JEVS has been predicted using the x-ray crystal structure of Egp of Tick-borne encephalitis virus as a template and the knowledge-based homology modeling approach. Even though the homology modeling is the best method for prediction of 3D structure, prediction of structures of loop regions is still a challenge. A novel approach of molecular dynamics simulations and geometry optimisation has been used to sample the conformations of loop regions. The Egp of JEVS has an extended structure with nine β-sheets, two α-helices and three domains. The predicted structure was compared with the model of Egp of Nakayama strain of Japanese encephalitis virus (JEVN), which was developed earlier (Kolaskar & Kulkarni-Kale, 1999). Similarities and differences between the structures of Egps of two strains of JEV are discussed. These models illustrate effect of mutations on the local and global conformation of Egp and help to explain strain specific properties. The sequential and conformational epitopes of Egp of JEV were predicted using an algorithm developed in house (Kulkarni-Kale, 2002). The predicted B cell epitopes could be used to design synthetic peptide vaccine against JEV.
机译：本文介绍了日本脑炎病毒（JEVS）的斯里兰卡毒株的包膜糖蛋白（Egp）基于知识的同源性建模研究。 JEVS是一种蚊子传播的黄病毒，是一种重要的人类病原体。 Egp是主要的结构抗原，负责病毒的血凝反应和中和作用。已经使用T传脑炎病毒的Egp的X射线晶体结构作为模板和基于知识的同源性建模方法，预测了JEVS Egp胞外域中399个氨基酸的3D结构。尽管同源性建模是预测3D结构的最佳方法，但是预测环区域的结构仍然是一个挑战。分子动力学模拟和几何优化的一种新颖方法已被用于采样环区域的构象。 JEVS的Egp具有九个β-折叠，两个α-螺旋和三个结构域的扩展结构。将预测的结构与较早开发的日本脑炎病毒中山株Egp模型（JEVN）进行了比较（Kolaskar＆Kulkarni-Kale，1999）。讨论了两种JEV菌株Egps结构之间的异同。这些模型说明了突变对Egp的局部和整体构象的影响，并有助于解释菌株的特定特性。 JEV Egp的序列表位和构象表位是使用内部开发的算法预测的（Kulkarni-Kale，2002）。预测的B细胞表位可用于设计针对JEV的合成肽疫苗。

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