摘要
目的:应用生物信息学软件对结核分枝杆菌Rv1579c基因编码的Phage蛋白结构和功能进行预测分析.方法:从 NCBI Gene 数据库中获取 Rv1579c 编码的氨基酸序列;通过 ProtParam、ProtScale、NetPhos、TMHMM、SOPMA、SWISS-MODEL 在线网站分别对Phage蛋白的理化性质、亲疏水性、磷酸化位点、跨膜螺旋结构、二级结构以及三级结构建模进行预测分析;利用IEDB、ABCpred、SYFPEITHI等软件预测Phage蛋白的细胞抗原表位;使用NCBI中BLAST数据库、UniProt数据库、MEGA-X软件分析Phage蛋白同源性及进化树的构建;STRING数据库预测其相互作用蛋白.结果:Phage蛋白共含有104个氨基酸,分子式为C480H750N140O164S4,原子总数1 538,为亲水性蛋白,第22、23位氨基酸疏水性得分最高为-1.433;第94位氨基酸亲水性得分最高为-2.511.该蛋白不稳定指数42.81,为不稳定蛋白;无糖基化位点,含有12个磷酸化位点,无跨膜螺旋结构.另外,Phage蛋白共获得多个优势细胞抗原表位.结论:生物信息学分析Phage蛋白为结核分枝杆菌胞膜亲水性不稳定蛋白,介导结核分枝杆菌焦亡和耐药的发生.同时,该蛋白的多个优势细胞抗原表位,可成为未来结核诊断治疗的新靶标.
Abstract
Objective:Bioinformatics software was used to predict the structure and function of Phage protein encoded by Mycobacterium tuberculosis Rv1579c gene.Methods:The amino acid sequence encoded by Rv1579c was obtained from the NCBI Gene database.The physicochemical properties,hydrophilicity,phosphorylation sites,transmembrane helical structure,secondary structure and tertiary structure of Phage protein were predicted and analyzed by ProtParam,Protscale,NetPhos,TMHMM,SOPMA,and SWISS-MODEL.IEDB,ABCpred,SYFPEITHI and other software were used to predict the cellular epitopes of Phage protein.The BLAST database,UniProt database and MEGA-X software were used to analyze the homology of Phage protein and the construction of phylogenetic tree.The STING database predicts its interacting proteins.Results:Phage protein contains a total of 104 amino acids,the molecular formula is C480H750N140O164S4,the total number of atoms is 1 538,it is a hydrophilic protein,the highest hydrophobic score of amino acid in the 22nd,23rd position is-1.433,and the highest amino acid hydrophilic score is-2.511 in the 94th amino acid.The instability index of the protein is 42.81,which is an unstable protein,no glycosylation sites,contains 12 phosphorylation sites,and has no transmembrane helix structure.In addition,Phage proteins obtained a total of multiple dominant cellular epitopes.Conclusion:Bioinformatics analysis showed that Phage protein was a hydrophilic unstable protein in the cell membrane of Mycobacterium tuberculosis,which mediated the occurrence of pyroptosis and drug resistance in Mycobacterium tuberculosis.At the same time,multiple dominant cellular epitopes of this protein can become new targets for the diagnosis and treatment of tuberculosis in the future.
维普
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