文章摘要
2019新型冠状病毒S蛋白的结构和功能分析
Analysis of the Structure and Function of S Protein of 2019 Novel Corona Virus
  
DOI:doi:10.3969/j.issn.1005-7021.2020.03.007
中文关键词: 新型冠状病毒肺炎  S蛋白  生物信息学  新型冠状病毒  理化性质
英文关键词: COVID-19  S protein  bioinformatics analysis  2019-nCoV  physicochemical property
基金项目:2019年湖南省教育厅科学研究项目优秀青年项目(19B436);湖南中医药大学“十三五”冶一级学科基础医学建设项目(06)
作者单位
谭玉靓 湖南中医药大学 医学院湖南 长沙 410208 
唐标 湖南中医药大学 医学院湖南 长沙 410208 
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中文摘要:
      运用生物信息学,预测急性呼吸系统综合症冠状病毒2(SARS-CoV-2/2019-nCoV)的基本理化性质、结构、功能和抗原表位等,为新型冠状病毒肺炎(COVID-19)的防治提供思路。应用ExPASy分析S蛋白的消光系数、不稳定系数和半衰期等理化性质;利用SignaIP v5.0分析S蛋白的信号肽;应用TMHMM分析S蛋白的跨膜区;利用 NetPhos3.1在线工具预测S蛋白的磷酸化位点;应用Pfam预测S蛋白的结构域;应用PSIPRED分析S蛋白的二级结构特征;利用SWISS-MODEL构建S蛋白的三级结构;利用BLAST分析SARS-CoV-2的S蛋白与其他物种的相似性;利用MEGA软件分析2019-nCoV的S蛋白与其他物种的进化关系。S蛋白由1 273个氨基酸组成,其相对分子质量为141 178.47,等电点为6.24,含有一个跨膜区,是低亲水性分泌蛋白;S蛋白的基本组成单位为纤突蛋白,其二级结构中以无规则卷曲和螺旋结构为主,三级结构中纤突糖蛋白和ACE2复合体具有重要的意义;2019-nCoV与蝙蝠冠状病毒和SARS-CoV同源;S蛋白存在多个潜在的线性T细胞和B细胞表位,1 202~1 210位氨基酸区域的抗原性和应答频率最高。生物信息学技术有利于了解S蛋白的理化性质、结构、功能和潜在的线性T细胞表位等,可为新型冠状肺炎的研究和防治提供参考依据。
英文摘要:
      Basic physicochemical properties, structure, function and antigen epitope of severe acute respiratory syndrome corona virus 2 (SARS-Cov-2/2019-nCov) were predicted using bioinformatics, to provide train of thought to contain COVID-19. The extinction coefficient, instability coefficient, half-jlife, and other physicochemical properties of S protein were analyzed applying ExPASy; The signal peptide were analyzed using SignaIP v5.0; and applying TMHMM to analyze transmembrane region of S protein; The phosphorylation sites were predicted adopting on-line tool NetPhos3.1; The structural domain of S protein was predicted applying Pfam; secondary structure of S protein was analyzed applying PSIPRED; and the establishment of the tertiary structure of S protein adopting SWISS-MODEL; the similarity of SARS-CoV-2 S protein to other species was analyzed adopting BLAST; the evolutionary relation of 2019-nCoV S protein was analyzed adopting MEGA software. The S protein was composed of 1 273 amino acids, with relative molecular weight at 141 178.47, and isoelectric point at 6.24, containing one transmembrane region, and it was a low hydrophilia secretive protein; The fundamental module of S protein is spike protein, among its secondary structure mainly was irregular coils and spiral structure, and the spike protein and ACE2 complex in tertiary structure has important significance; 2019-nCoV has the same origin with bat corona virus and SARS-CoV; S protein exists multiple potential epitope of linear T cells and B cells, the antigenicity and response frequency of 1 202-1 210 site of amino acids region was the highest. Bioinformatics technology is conducive to understand basic physicochemical properties, structure, function, and potential linear T cell epitopes etc, and could provide references foundation for studying and containing COVID-19.
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