贝母中环阿屯醇合成酶的生物信息学分析

Bioinformatic Analysis of Cycloartenol Synthase in Fritillaria thunbergii

目的:采用多种生物信息学手段,分析预测贝母中环阿屯醇合成酶的特征信息。方法:以浙贝母的环阿屯醇合成酶氨基酸序列为研究对象,利用Prot Param、Signal P、PSORT、Prot Scale、SOMPA、Predict Protein、PROSITE、COILS和SWISS-MODEL等在线预测工具,对其理化性质、亚细胞定位、亲疏水性、二级结构、三级结构等进行分析。结果:该酶由756个氨基酸残基构成,是一种无信号肽、无跨膜结构、定位于微体的可溶性亲水蛋白。α螺旋和无规则卷曲为主要的二级结构元件。三级结构以羊毛甾醇合成酶为模板建模,功能位点是萜类合酶位点,位于603~617 aa;结合配体为Zn^(2+),结合位点为676His、677Ala、678Val、679Asn、682Trp和723Ala。结论:生物信息学手段分析预测结果可靠性较高,为进一步研究贝母活性生物碱的生物合成调控机制奠定了理论基础。

Objective： To analyze and predict the characteristic of the cycloartenol synthase in Fritillaria thunbergii by bioinformatics methods to. Methods： Taking the amino acid sequence of cycloartenol synthase in F.thunbergii as the objects of this study, we analyzed the physicochemical property, subcellular localization, hydrophobicity or hydrophilicity, secondary structure and tertiary structure by online prediction tools including ProtParam, SignalP, PSORT, ProtScale, SOMPA, PredictProtein, PROSITE, COILS, SWISS-MODEL and so on. Results： This enzyme, consisting of 756 amino acid residues, was an soluble hydrophilic protein in microbody and had no signal peptide and transmembrane structure. Alpha helix and random coil were main secondary structure components. The tertiary structure model was constructed with lanosterol synthase as the template, and the functional site was terpene synthase locating from 603-617 aa; the ligand was Zn2＋, and the bingding site was 676His, 677Ala, 678Val,679Asn, 682Trp and 723Ala. Conclusion： The results we obtained by bioinformatics methods were reliable, which can offer theoretical basis for the further study on regulatory mechanism of active alkaline biosynthesis in F.thunbergii.