现代食品科技2017，Vol.33Issue(6)：62-73,227,13.DOI:10.13982/j.mfst.1673-9078.2017.6.010
黑曲霉α-L-鼠李糖苷酶Rha1的二级结构预测及三级结构模拟
Secondary Structure Prediction and Three-dimensional Structure Simulation of the Recombinant α-L-Rhamnosidase Rha1
摘要
Abstract
Exploration of enzyme structure can provide a better understanding of enzyme functions.This study aimed to analyze the secondary and tertiary structures of the α-L-rhamnosidase Rhal and provide a basis for the rational design of this enzyme.Nine secondary structure prediction methods,including GORⅢ and PHD,were used to analyze and predict the secondary structure of Rha1.The results showed that Rha 1 was composed of 23.51％ α-helix,29.77％ β-sheet,and 46.71％ random coil.Rha 1 included three domains:a (α/α)6 barrel structure,similar to that of the GH78 family,and two β-sandwich domains.The Swiss-Model was used to simulate the three-dimensional structure of Rha1 with a single template.The results showed that Rha1 was divided into three domains.Modeller 9.15 was used to construct the three-dimensional structure of r-Rhal with multi-template segment modeling and domain splicing.The new simulated r-Rha1 three-dimensional structure was optimized by energy minimization.The two models simulated using Swiss-Model and Modeller 9.15 were evaluated by Ramachandran plot and verify-3D,respectively.The results showed that the model simulated by Swiss-Model was not qualified,whereas the model simulated by Modeller 9.15 had a reasonable structure and passed the assessment.The construction of an α-L-rhamnosidase Rha1 model establishes a foundation for the further study of the structure and biological function of α-L-rhamnosidase Rla1.关键词
α-L-鼠李糖苷酶/生物信息学/二级结构/同源建模Key words
α-L-rhamnosidase/bioinformatics/secondary structure/homology modeling引用本文复制引用
吴喆瑜,于越,巩建业,李利君,倪辉..黑曲霉α-L-鼠李糖苷酶Rha1的二级结构预测及三级结构模拟[J].现代食品科技,2017,33(6):62-73,227,13.基金项目
国家自然科学基金项目(31371751) （31371751）
厦门市科技计划项目(3502z20153008) （3502z20153008）
