棉铃虫CCE001a蛋白结构与功能的生物信息学分析

Bioinformatics Analysis of the Protein Structure and Function of Helicoverpa armigera CCE001a

[目的]深入预测CCE001a蛋白结构与生物学功能。[方法]使用生物信息学方法预测CCE001a基因所编码的蛋白质,预测其功能与结构。[结果]该蛋白的总氨基酸残基数为556个,分子式为C 2865 H 4321 N 737 O 811 S 23,蛋白的等电点pI为5.32,带正电的氨基酸残基(Arg+Lys)为58个,带负电的氨基酸残基(Asp+Glu)为75个,蛋白不稳定系数为35.22,脂肪系数为75.91,总平均亲水性系数为-0.262;CCE001a蛋白有一个脱氢酶超家族(cl21494)结构域;经分析显示,α-螺旋、无规律的卷曲是这种蛋白质的主要二次结构,分别占31.35%和46.49%,还包括3.96%的β-转角和18.20%的扩展延伸链。经过三级结构学预测表明,该蛋白包括α-螺旋、β-转角;该蛋白亚细胞被确认为定位在内质网内,存在着信号肽的序列,初步可以认为是具有分泌力的亲水蛋白,且没有出现跨膜蛋白,共有37个磷酸化位点,1个N-糖基化位点。[结论]该研究可为研究CCE001a的解毒机制提供理论基础。

[Objective]In order to further predict the protein structure and biological function of CCE001a.[Method]This study used a bioinformatics method to predict the protein encoded by this gene,and predict its function and structure.[Result]The prediction results show that the total number of amino acid residues of the protein is 556,its molecular formula is C2865 H 4321N737O811S23,the isoelectric point pI of the protein is 5.32,and the positively charged amino acid residues(Arg+Lys)are 58,which are negatively charged.There are 75 amino acid residues(Asp+Glu),protein instability coefficient is 35.22,fat coefficient is 75.91,total average hydrophilicity coefficient is-0.262;CCE001a protein has a dehydrogenase superfamily(cl21494)domain;analysis shows thatα-helix and irregular coils are the main secondary structures of this protein.They account for 31.35%and 46.49%,respectively,including 3.96%ofβ-turns and 18.20%of extended stretched chains.After tertiary structural prediction,it is shown that the protein includesα-helix andβ-turn;the protein subcellular is confirmed to be located in the endoplasmic reticulum,and there is a signal peptide sequence,which can be initially considered as secretory Hydrophilic protein,and no transmembrane protein,a total of 37 phosphorylation sites,one N-glycosylation site.[Conclusion]This study can provide a theoretical basis for studying the detoxification mechanism of CCE001a.