2型猪链球菌葡萄糖胺-6-磷酸脱氨酶的生物信息学分析  

Bioinformatic analysis of glucosamine-6-phosphate deaminase in Streptococcus suis serotype 2

作　　者：钱思彤 王一男 龚秀芳 丁晨曦 胡丹 艾乐乐 王长军 QIAN Si-tong;WANG Yi-Nan;GONG Xiu-fang;DING Cheng-xi;HU Dan;AI Le-le;WANG Chang-jun(College of Pharmacy,Xuzhou Medical University,Xuzhou,Jiangsu,China22104;Center for Disease Control and Prevention,Eastern Theater of the PLA)

机构地区：[1]徐州医科大学药学院,江苏徐州221004 [2]中国人民解放军东部战区疾病预防控制中心

出　　处：《中国病原生物学杂志》2019年第10期1160-1165,1170,共7页Journal of Pathogen Biology

基　　金：国家传染病重大专项(No.2018ZX10713-003-001-010;2017ZX10303401-007);国家自然科学基金(No.81481920)项目;江苏省卫生计生委2018年度医学科研课题(No.Z2018006);徐州市科技计划项目(No.KC18054)

摘　　要：目的利用生物信息学方法分析预测2型猪链球菌葡萄糖胺-6-磷酸脱氨酶(Glucosamine 6-phosphate deaminase,NagB)的性质、结构与功能等信息。方法利用DNAStar、ProtParam、PredictProtein、PSORT、SignalP、TMHMM、SOMPA、PROSITE、SWISS-MODEL、SYBYL-X和ClustalX等在线分析软件对2型猪链球菌中的NagB理化性质、亚细胞定位、二级结构、三级结构及活性中心等进行分析。结果 NagB由378个氨基酸残基构成,无信号肽及跨膜区,是稳定的亲水性胞浆蛋白。二级结构以α螺旋和无规则卷曲为主分别占46.30%和32.28%,三级结构模拟显示其为典型的二聚体结构,单体的活性中心可能由Ala52、Ser55、Arg106、Ser107、Ser110、Phe164、Met166、Glu242、Val364、Asn365、Arg366、Val367、Val368等多个核心氨基酸构成。结论生物信息学预测NagB含有2个SIS功能结构域(34-190aa;210-358aa),涉及磷酸糖的异构酶功能,NagB的特征信息为进一步研究其在S.suis 2生长增殖以及致病过程中可能发挥的作用奠定了基础。Objective To analyze and predict the characteristics, structure, and function of glucosamine-6-phosphate deaminase in Streptococcus suis serotype 2 using bioinformatics. Methods Based on the amino acid sequence of NagB in S. suis serotype 2, the physical and chemical properties of NagB were analyzed with ProtParam, subcellular localization was predicted with PSORT, hydrophobicity was predicted with ProtScale, transmembrane regions were predicted with TMHMM, signal peptides were predicted with SignalP, and the protein’s secondary structure, tertiary structure, and active sites were predicted with online software such as SOMPA, PROSITE, SWISS-MODEL, and SYBYL-X. The evolutionary tree of NagB was constructed using ClustalX. Results NagB consisted of 378 amino acid residues, its molecular formula was C1871H2900N472O557S8, its molecular weight was 41.174 92 Ku, and its isoelectric point(PI) was 4.78. NagB was a stable hydrophilic cytoplasmic protein and had no signal peptides or transmembrane regions. Alpha helices and random coils were the main components of the secondary structure, respectively accounting for 46.30% and 32.28%. Simulation of the tertiary structure indicated that NagB was a typical dimer. The active sites of the monomers might consist of several core amino acids, such as Ala52, Ser55, Arg106, Ser107, Ser110, Phe164, Met166, Glu242, Val364, Asn365, Arg366, Val367, and Val368. Multiple sequence alignment indicated that NagB was highly conserved in different strains of Streptococcus suis. Conclusion Bioinformatic predictions indicated that NagB contained two SIS functional domains(34-190 aa;210-358 aa) that are related to the isomerase function of phosphate sugar. Information on the characteristics of NagB has laid the foundation for the further study of its possible role in the growth and pathogenesis of S. suis 2.

关 键 词：2型猪链球菌 葡萄糖胺-6-磷酸脱氨酶 生物信息学 

分 类 号：R378[医药卫生—病原生物学]