【摘要】 目的:分析唐松草小檗碱桥酶(TfBBE)序列特征、结构和活性位点。方法:从NCBI蛋白质数据库获取TfBBE蛋白序列,通过生物信息学软件进行序列分析;通过分子建模和对接研究TfBBE的结构和活性位点。结果:TfBBE序列全长535个氨基酸;是偏酸性、亲水性的稳定蛋白;N末端含有18个氨基酸的信号肽;有两个功能域,分别为FAD结合域和番荔枝碱结合域。三维结构包括27个α螺旋、19个β折叠,其余为无规则卷曲。TfBBE通过FAD结合域的14个氨基酸、番荔枝碱结合域的8个氨基酸分别与FAD、番荔枝碱直接作用,从而催化番荔枝碱环化形成金黄紫堇碱。结论:获得了TfBBE的序列特征、结构和活性位点,对研究酶的催化活性以及基因改造增加小檗碱产量具有重要意义。更多还原

【Abstract】 Objective: To study the sequence signature,structure and active site of BBE from Thalictrum flavum( TfBBE). Method: The protein sequence of TfBBE from NCBI protein database was analyzed by bioinformatics software. The structure and active site of TfBBE were studied by molecular modeling and docking. Result: TfBBE had 535 amine acids,which was an acid,hydrophilic and stable protein. TfBBE had a N- ternimal signal peptide consisted by 18 amine acids. There were two functional domains,FAD binding domain and reticuline binding domain in TfBBE. The structure of TfBBE consisted of 27 α- helices,9 β- sheets and some coils. TfBBE interacted with FAD and reticuline with 14 amine acids of FAD binding domain and 14 amine acids of reticuline binding domain to catalyze the cyclization of reticuline to form scoulerine. Conclusion: The sequence signature,structure and active site of BBE were obtained. The Results had significance for studying enzymatic catalytic activity and increasing the yield of berberine by reform gene.更多还原