结核分枝杆菌Rv1980c基因编码蛋白MPT64的生物信息学分析  

Bioinformatics analysis of the protein MPT64encoded by Mycobacterium tuberculosis Rv1980c gene

作　　者：代云鹏 王子豪 付美多 付璐 张林波 DAI Yunpeng;WANG Zihao;FU Meiduo;FU Lu;ZHANG Linbo(College of Life Sciences,Jilin Agricultural University,Changchun 130118,China;College of Food Sciences and Pharmaceutical Engineering,Zaozhuang University)

机构地区：[1]吉林农业大学生命科学学院,吉林长春130118 [2]枣庄学院食品科学与制药工程学院

出　　处：《中国病原生物学杂志》2024年第6期680-684,共5页Journal of Pathogen Biology

基　　金：吉林省自然科学基金(No.20220101326JC)。

摘　　要：目的采用生物信息学方法分析、预测结核分枝杆菌Rv1980c基因编码蛋白MPT64的结构和功能。方法通过NCBI网站获取Rv1980c基因的基本信息;使用Proteparam、ProtScale和ProtCompB软件预测MPT64蛋白的理化性质和亚细胞定位;使用SignalP Server v.4.0、TMHMM Server v.2.0、NetNGlyc Server 1.0和Net Phos Server v.3.1对MPT64蛋白的信号肽、跨膜结构、糖基化及磷酸化位点进行分析;使用SOPMA和I-TASSER预测MPT64蛋白的二级结构并对该蛋白的三级结构分子模型进行构建;使用BepiPred和NetMHCpan-4.1、NetMHCIIpan-4.0对MPT64蛋白的抗原表位进行分析预测;使用VaxiJen、ToxIBT对预测出的表位进行抗原相似性及毒性筛选;使用STRING数据库预测MPT64的相互作用蛋白及其相关功能。结果Rv1980c编码的MPT64蛋白由228个氨基酸组成,其分子式为C_(1115)H_(1729)N_(285)O_(342)S_(8),理论等电点为4.84,平均亲水性系数为-2.322,不稳定性指数28.73,预测其为亲水性蛋白;亚细胞可能定位于细胞外。MPT64蛋白可能存在一个跨膜结构,可能存在一个信号肽、两个糖基化位点和25个磷酸化位点。其二级结构包含28.07%的a-螺旋(Hh),18.86%的β-折叠(Ee),5.26%的β-转角(Tt),47.81%无规则卷曲(Cc)。MPT64蛋白含有2个B细胞优势表位,12个T细胞优势表位;预测其互作蛋白为FBPB、ESXA、MPT63、ESXB、NrdF1、FBPA、Pst S1、APA、CFP21、MPT70。结论成功对MPT64蛋白进行了生物信息学分析与结构功能预测,为MPT64的进一步研究奠定基础。Objective To analyze the structure and function of MPT64 protein encoded by gene Rv1980c of Mycobacterium tuberculosis using bioinformatics methods.Methods The basic information of Rv1980c gene and MPT64 protein was obtained through the NCBI website.Protparam,ProtSeale and ProtCompB software were used to predict the physicochemical properties and subcellular localization of MPT64 protein.SignalP Server v.4.0,TMHMM Server v.2.0,NetlNGlye 1.0 server and Net-Phos Server v.3.1 were used to predict the signal peptides,transmembrane structures,glycosylation and phosphorylation sites of MPT64 protein.SOPMA and I-TASSER were used to predict the secondary structure of MPT64 protein and to construct a tertiary structure model of the protein.Bepipred,NetMHCpan-4.1 and NetMHCIIpan-4.0 were used to predict the epitopes of MPT64 protein.VaxiJen and ToxIBTL were used to screen the antigenic similarity and toxicity of predicted epitopes.The STRING database was used to predict the interacting proteins of MPT64 and their related functions.Results The MPT64 encoded by Rv1980c consists of 228 amino acids,with a molecular formula of C_(1115)H_(1729)N_(285)O_(342)S_(8).The theoretical isoelectric point of MPT64 is 4.84,the average hydrophilicity coefficient and instability index of which is-2.322 and 28.73 respectively.MPT64 is predicted to be a hydrophilic protein,which subcellular localization may be extracellular.MPT64 protein may have a transmembrane structure,possibly one signal peptide,two glycosylation sites and 25 phosphorylation sites.The secondary structure of MPT64 contains 28.07%a-helix(Hh),18.86%β-fold(Ee),5.26%β-corner(Tt)and 47.81%irregular curl(Cc).MPT64 protein contains 2 B cell dominant epitopes and 12 T cell dominant epitopes.Its interaction proteins are fbpB,esxA,mpt63,esxB,nrdF1,fbpA,pstS1,apa,cfp21,and MPT70 protein.Conclusion The bioinformatics analysis,structure and function prediction of MPT64 protein were carried out successfully,which laid the foundation for the further research on MPT64.

关 键 词：结核分枝杆菌 Rv1980c MPT64 生物信息学分析 

分 类 号：R378.911[医药卫生—病原生物学]