巴曲酶的线性和构象型B细胞抗原表位的预测  

Predicition of linear and conformational B cell epitopes of batroxobin

作　　者：贾秋磊 尹茂鲁 陈磊[1] 陈琦[1] 杨青[1] 姜秀萍[1] 

机构地区：[1]大连理工大学生命科学与技术学院,大连116024

出　　处：《中国免疫学杂志》2013年第11期1193-1197,1201,共6页Chinese Journal of Immunology

基　　金：国家自然科学基金项目(81102378);中央高校基本科研业务费专项资金资助(DUT11SM02)

摘　　要：目的：预测巴曲酶的B细胞线性表位和构象型表位,本项目的预期成果可为该药物的安全化应用提供新思路。方法：基于巴曲酶的蛋白质序列,采用DNAStar软件和ABCpred、BCPREDS、BcePred和BepiPred 1.0服务器预测巴曲酶的线性表位。以蝮蛇毒蛋白C激活剂蛋白的晶体结构为模板,利用MODELLER9.10软件中的Pythonwin程序进行该酶的同源模建,并利用PROCHECK、ERRAT及PROSA程序进行合理化评价。根据巴曲酶的模建三维结构并结合DiscoTope和cons PPISP网络数据库预测构象型抗原表位。结果：得到肽端AA3~9、19~31、57~82、93~101、106~114、127~142、171~183、196~208、223~230区域为巴曲酶的B细胞线性表位优势区域。然后得到蛋白的N端41~48、57~71、76~82、93~100、109~115、127~133、146~152、194~203区段为B细胞构象型表位区域。结论：这些B细胞抗原表位可为降低巴曲酶的免疫原性提供实验依据。Objective： To predict the linear and conformational B cell epitopes of batroxobin from Bothrops atrox moojenii snake venom,and the results will provide new ideas for the safety applications of batroxobin. Methods： Based on the sequence of batroxobin,B cell linear epitopes were predicted using DNAStar software and ABCpred,BCPREDS,BcePred and BepiPred 1. 0 web servers. Using protein C activator from Agkistrodon contortrix contortrix venom as template,a 3D structure model of batroxobin was constructed by Pythonwin program using modeling package MODELLER9. 10. Stereochemical quality of the selected model was evaluated using PROCHECK,ERRAT and PROSA programs. The conformational epitopes of batroxobin were predicted by 3D structure of homology modeling combined with Discotope 1. 2 server and cons PPISP online tools. Results： B-cell linear epitopes in batroxobin were predicted to locate in the regions of 3-9,19-31,57-82,93-101,106-114,127-142,171-183,196-208 and 223-230. B-cell conformational epitopes in batroxobin were predicted to locate in the regions of 41-48,57-71,76-82,93-100,109-115,127-133,146-152 and 194-203.Conclusion： These B cell epitopes might be useful to reduce the immunogenicity of batroxobin.

关 键 词：巴曲酶 免疫原性 线性表位 构象型表位 同源模建 

分 类 号：R34[医药卫生—基础医学]