摘要
氨基甲酸乙酯(Ethyl carbamate, EC)是酒精饮料生产过程中自然产生的副产物,具有潜在的致癌性和遗传毒性,成为影响人们健康的隐患。利用氨基甲酸乙酯水解酶(Urethane hydrolase, UH)消除酒精饮料中已存在的EC具有直接、高效的作用。为了进一步探索EC水解酶的功能与作用,本实验利用生物信息学的方法对已注释的EC水解酶进行其氨基酸序列的理化性质、亲疏水性、信号肽、跨膜结构域、蛋白质的二级、三级结构及功能域进行预测分析,并将EC水解酶蛋白进行多序列比对分析。结果表明,EC水解酶基因编码472~551 aa,分子量在50~62 kD之间,理论等电点(pI)在5左右,均为酸性亲水性蛋白,无跨膜区和信号肽。二级结构预测结果显示EC水解酶的氨基酸都以α螺旋以及无规则卷曲为主,螺旋与折叠排列有序。此外,使用同源建模的方法对EC水解酶进行模型的构建,预测结果质量评估均较好,并使用同源比对的方法,分析出EC水解酶高保守氨基酸残基。这些分析与预测为挖掘新的EC水解酶、进一步研究EC与EC水解酶结合位点以及对EC水解酶的改造提供了理论依据。
Ethyl carbamate(EC) is a naturally produced by-product in the production of alcoholic beverages. It has potential carcinogenicity and genetic toxicity, and has become a hidden danger that affects people’s health. The use of urethane hydrolase(UH) to eliminate the existing EC in alcoholic beverages has a direct and efficient effect. In order to further explore the function and role of EC hydrolase, the bioinformatics methods were adopted to analyze the physical and chemical properties hydrophilicity and hydrophobicity, signal peptide, transmembrane domain, protein secondary and tertiary structure, and functional domains of the of amino acid sequence annotated EC hydrolase, and the EC hydrolase protein was subjected to multiple sequence comparison analysis. Results show that the EC hydrolase gene encoded 472-551 aa, the molecular weight was between 50-62 kD, and the theoretical isoelectric point(pI) was about 5. They were all acidic hydrophilic proteins without transmembrane domain and signal peptide. The secondary structure prediction results show that the amino acids of EC hydrolase were mainly alpha helix and random coil, and the helix and fold were arranged in order. In addition, the method of homology modeling was used to construct a model of EC hydrolase, and the quality evaluation of the prediction results was good. The highly conserved amino acid residues of EC hydrolase were analyzed by homology comparison. These analyses and predictions provide theoretical basis for further research on the binding sites of EC and EC hydrolase and the modification of EC hydrolase.
作者
张献
彭涛
张耀
李若熙
杨丽娟
ZHANG Xian;PENG Tao;ZHANG Yao;LI Ruoxi;YANG Lijuan(Liquor Making Bio-Technology&Application of Key Laboratory of Sichuan Province(Sichuan University of Science&Engineering),Yibin 644000,Sichuan,China)
出处
《生物信息学》
2022年第1期64-74,共11页
Chinese Journal of Bioinformatics
基金
四川轻化工大学人才引进项目(No.E10402638)。
