SARS-CoV-2刺突糖蛋白结构特征和抗原表位分析  

Structure Characteristics and Antigen Epitopes analysis of the SARS-CoV-2 spike glycoprotein

作　　者：王道[1] 陈建林[1] Dao Wang;Jianlin Chen(Department of Obstetrics and Gynecology,The Second Xiangya Hospital of Central South University,Changsha 410011,China)

机构地区：[1]中南大学湘雅二医院妇产科,长沙410011

出　　处：《湖南师范大学学报（医学版）》2022年第6期29-37,共9页Journal of Hunan Normal University(Medical Sciences)

基　　金：湖南省自然科学基金科教联合项目(2022JJ60110);湖南省财政厅卫生科技计划项目(202030229)。

摘　　要：目的:为深入了解新型冠状病毒(severe acute respiratory syndrome coronavirus 2,SARS-CoV-2)的刺突糖蛋白(spike glycoprotein)的结构特征和抗原表位.方法:以SARS-CoV-2的刺突糖蛋白的氨基酸序列为对象,通过Clustalw2.1比对分析与SARS-CoV的相似性;并且利用ProtParam分析刺突糖蛋白的理化性质;ProtScale分析亲/疏水性;TMHMM 2.0、SignalP 4.0、Netphos 3.1、NetGlyc 1.0对刺突糖蛋白的跨膜区域、信号肽、磷酸化和糖基化位点进行预测和分析;SOMPA和SWISS-MODEL服务器预测刺突糖蛋白的二级结构、三级结构模型;Prankweb平台分析可能的配体结合区域位点;ABCpred和SYFPEITHI对刺突糖蛋白进行B/T细胞表位的预测分析.结果:SARS-CoV-2刺突糖蛋白由1273个氨基酸构成,其中亮氨基酸含量最高;分子量为141178.47 kDa,等电点为6.24,半衰期为30 h,稳定系数为33.01;含有一个跨膜结构域和信号肽;存在136个磷酸化与17个N-糖基化修饰位点;二级结构主要以不规则卷曲结构构成,三级结构能与已知的7cn8.1.A(SMTL ID)模型同源建模;具有多个配体结合位点区域以及24个B细胞表位和12个T细胞表位.结论:通过生物信息学方法分析SARS-CoV-2刺突糖蛋白性质和表位,为促进新冠病毒肺炎疫苗和药物的研发提供参考.Objective To further realize structure characteristics and antigen epitopes of the SARS-CoV-2 spike glycoprotein.Methods Taking the amino sequence of SARS-CoV-1 spike protein as control,acid sequence of SARS-CoV-2 spike protein were aligned using Clustalw2.1.Spike protein physicochemical properties and hydrophilic/hydrophobic were analyzed using ProtParam and ProtScale;Transmembrane structures,signal peptides,phosphorylation and glycosylation sites were respectively predicted by TMHMM 2.0,SignalP 4.0,Netphos 3.1 and NetNGlyc 1.SOMPA、SWISS-MODEL and Prankweb were used to predict the secondary/tertiary structure and ligand-binding site.ABCpred and SYFPEITHI were also used for the prediction of B/T cell epitopes.Results SARS-CoV 2 spike protein is composed of 1273 amid acids,among them leucine is the highest proportion,molecular weight was 141178.47 kDa,theoretical isoelectric point 6.24,half-life period 30 h,stability coefficient 33.01;containing a signal peptide and transmembrane region,as well as 136 phosphorylation and 17 N-glycosylation sites.In addition,the secondary structure mainly consists of random coils.The tertiary structure can be homologous with known 7cn8.1.A(SMTL ID)model;existing potential ligand-binding sites,24 B cell epitopes and 12 T cell epitopes.Conclusion With the aid of bioinformatics analysis on structure and epitopes of SARS-CoV-2 spike protein,our study would provide references to promote the research and development of vaccines and drug against COVID-19.

关 键 词：新型冠状病毒(SARS-CoV-2) 刺突糖蛋白 抗原表位 生物信息学 

分 类 号：R373.1[医药卫生—病原生物学]