新型冠状病毒非结构蛋白3结构和功能的生物信息学分析  

Bioinformatic Analysis of the Structure and Function of Nonstructural Protein 3 of 2019 Novel Coronavirus

作　　者：丁一[1] 宋峰[1] 刘烁[1] 江亚娟 王小羽 焦伯延[1] DING Yi;SONG Feng;LIU Shuo;JIANG Yajuan;WANG Xiaoyu;JIAO Boyan(Jining Center for Disease Control and Prevention,Jining,Shandong,272000)

机构地区：[1]济宁市疾病预防控制中心,山东济宁272000

出　　处：《智慧健康》2022年第32期34-37,54,共5页Smart Healthcare

基　　金：山东省医药卫生科技发展计划项目(项目编号:202112060725):济宁市流感病毒流行特征及基因进化和变异分析。济宁市重点计划研发项目(2021年医学研究和临床医学类-18):济宁市流感样病例病原体分布特征及全基因序列分析。

摘　　要：目的利用生物信息学方法分析新型冠状病毒非结构蛋白3(NSP3)的生物学特征。方法在NCBI数据库获得NSP 3氨基酸序列,利用软件分析其分子式、等电点、亲水性、跨膜结构域、蛋白翻译后修饰、二级结构、抗原表位等特点,并构建其三级结构。结果NSP3由1945个氨基酸组成,分子式为C_(9722)H_(15175)N_(2489)O_(2969)S_(88),是一种含有4个跨膜结构域的稳定亲水蛋白质。二级结构以无规卷曲为主(占45.1%),含有丰富的磷酸化位点、糖基化位点、泛素化位点、SUMO化位点、甲基化位点、乙酰化位点、琥珀酰化位点和棕榈酰化位点。NSP3含有15个二硫键,具有7个保守蛋白结构域,存在丰富的抗原表位,主要分布于内质网。并以同源建模法构建其三级结构模型。结论利用生物信息学方法分析NSP3的性质、结构、功能特征和抗原表位,为新冠肺炎的防控和药物研发提供参考依据。Objective To analyze the biological characteristics of the nonstructural protein 3(NSP3)of 2019 Novel Coronavirus(2019-nCoV)via bioinformatics.Methods The amino acid sequence of the NSP3 was obtained from the NCBI database.The biological information of NSP3 included molecular formula,isoelectric point,hydrophilicity,transmembrane domain,post-translational modification,structure,antigenic epitope were analysed by bioinformatics analysis softwares.Results NSP3 of 2019-nCoV consists of 1945 amino acid residues,its molecular formula is C_(9722)H_(15175)N_(2489)O_(2969)S_(88).It was a stable hydrophilic protein with 4 transmembrane domain.The main component of secondary structure was random coil(45.1%),and the tertiary structure was successfully obtained through homologous modeling method.NSP3 contained a large number of phosphorylation sites,glycosylation sites,ubiquitination sites,SUMO sites,methylation sites,acetylation sites,succinylation sites and palmitoylation sites.NSP3 contained 15 disulfide bond,7 conserved protein domains and a number of epitopes.NSP3 was mainly distributed in endoplasmic reticulum.Conclusion The properties,structure,functional characteristics and antigenic epitopes of NSP3 of 2019-nCoV were understood by bioinformatics technology analysis,which can provide reference basis for prevention and drug development of 2019-nCoV.

关 键 词：新型冠状病毒 非结构蛋白3 生物信息学 

分 类 号：R373[医药卫生—病原生物学]