半夏凝集素结构预测分析

Prediction Analysis of Pinellia Ternata Agglutinin Structure

为进一步深入了解半夏凝集素(Pinellia ternata agglutinin)已知蛋白序列的性质,采用生物信息学预测方法,对其结构进行了系统性分析。从NCBI数据库中调取半夏凝集素蛋白序列信息,利用Expasy、SMART、CBS、SWISS-MODEL、DNAman6.0等生物软件对凝集素蛋白的一级结构、高级结构性质进行全面分析。半夏凝集素的基本结构信息表明其属于稳定的亲水性蛋白,人工神经网络法预测其二级结构含有16个α螺旋,91个β折叠和150个随机卷曲,同源建模分析显示半夏凝集素蛋白序列与模板岩芋凝集素蛋白A链和B链的同源相似度分别达76.15%和84.55%。高级结构信息显示半夏凝集素N端存在跨膜区域和信号肽区域,并且整个蛋白序列中存在多个N-糖基化位点和蛋白激酶磷酸化位点,功能域预测表明半夏凝集素含有两个B型凝集素功能域,每个功能域均含有保守的甘露糖结合位点,并且这些结合位点多位于半夏凝集素蛋白空间构象的外部。通过对半夏凝集素结构性质的预测为进一步实验验证其生物功能和药用机理提供了有益参考。

To further understand the properties of known protein sequence of Pinellia ternata agglutinin,bioinformatics prediction method was used to carry out a systematic analysis of its structure.Protein sequence information of Pinellia ternata agglutinin was retrieved from NCBI database.Expasy,SMART,CBS,SWISS-MODEL,DNAman6.0and other bioinformatics prediction software were applied to overall analyze primary structure and senior structure of agglutinin protein.Basic structure information of Pinellia ternata agglutininindicates it belongs to stable hydrophilic protein.Artificial neural network method was used to predict its secondary structure contained 16α-helices,91β-strands and 150 random coils.Homologous modeling analysis indicates that homologous similarity between protein sequence of Pinellia ternata agglutinin and Remusatia Vivipara lectin'Chain A & Chain B reaches 76.15% and84.55%respectively.The advanced structure information reveals that transmembrane region and signal peptide region exist in N-terminal of Pinellia ternata agglutinin,and multiple N-glycosylation sites and protein kinase phosphorylation sites exist in the whole protein sequence.Functional domain prediction shows Pinellia ternata agglutinincontains two B-type lectin domains,and each domain contains conserved mannose binding sites.Most of these protein binding sites are located outside of the space configuration of Pinellia ternata agglutinin.Prediction of structure nature of Pinellia ternata agglutinin provides useful reference for further experimental verification of its biological function and medicinal mechanism.