目的:通过生物信息学方法了解德国小蠊变应原BgGSTD1的结构特征,为蟑螂变态反应性疾病的诊断和治疗提供线索。方法:在NCBI数据库中获得BgGSTD1蛋白序列,Blast得到其相似序列,并应用Clustalx 1.83构建同源进化树,联合应用DNA Star多种方法预测其抗原表位,在Scan Prosite数据库中进行Motif预测,并应用SWISS-MODEL服务器进行自动建模,得到其三维结构。结果:德国小蠊BgGSTD1与美洲大蠊谷胱甘肽转移酶在进化上具有较近的亲缘关系。BgGSTD1主要为α+β结构的混合蛋白,其主要抗原表位集中于9-10,58-61,79-81,86-87,179-180,189-190,216。Motif预测其具有一个谷胱甘肽转移酶N-末端区和谷胱甘肽转移酶C-末端区。Swiss-Model服务器预测的三维结构基本能反应BgGSTD1真实的空间构象。结论:通过BgGSTD1的生物信息学分析获得了该变应原分子特征及三维结构模型,为进一步了解和掌握BgGSTD1的结构功能打下理论基础。
Objective: We conducted bioinformatic analyzes to identify and characterize the structural properties of Delta-glutathione S-transferase(BgGSTD1) from Blattella germanica.,which gave the clue for the diagnosis and therapy of cockroach allergy.Methods: BLAST was applied to search for the proteins,which show high similarities with BgGSTD1.Clustalx 1.83 was used for sequence alignment and phylogenetic tree construction.Antigenic epitopes of BgGSTD1 were predicted by the software of DNA Star.The motif and three-dimensional structure modeling were analyzed by online software in Scan Prosite and SWISS-MODEL web server.Results: The phylogenetic analysis found that BgGSTD1 showed highest similarity with the glutathione S-transferase identified from Periplaneta americana.BgGSTD1 was a global protein,mainly containing α+β secondary structure.Its antigenic epitope were mostly located on 9-10,58-61,79-81,86-87,179-180,189-190,216 regions.Motif analysis found that BgGSTD1 had a soluble glutathione S-transferase N-terminal domain and a soluble glutathione S-transferase C-terminal domain.Three-dimensional structure of BgGSTD1 was also constructed.Conclusion: It seemed that the predicted structure could reflect the real tertiary structure of BgGSTD1,which was useful for the further study of structure-function relationship.