甘薯膜结合态多酚氧化酶同源建模及分子对接分析  

Homology Modeling and Molecular Docking Analysis of Sweet Potato Membrane-Bound Polyphenol Oxidase

作　　者：李丰茂 杨浩[1,2] 傅玉凡 陈晓玲[3] 唐云明[1] LI Feng-mao;YANG Hao;FU Yu-fan;CHEN Xiao-ling;TANG Yun-ming(School of Life Science,Southwest University/Engineering&Technology Center for Sweet Potato,Chongqing 400715,China;Tongnan High School,Tongnan Chongqing 402660,China;Institute of Crop Sciences,Chinese Academy of Agricultural Sciences,Beijing 100081,China)

机构地区：[1]西南大学生命科学学院/重庆市甘薯工程研究中心,重庆400715 [2]重庆市潼南中学校,重庆潼南402660 [3]中国农业科学院作物科学研究所,北京100081

出　　处：《西南大学学报（自然科学版）》2021年第6期60-66,共7页Journal of Southwest University(Natural Science Edition)

基　　金：财政部和农业农村部国家现代农业产业技术体系建设专项(CARS-10-C20-2020);农业农村部农作物种质资源保护与利用专项(2018NWB036-09-01).

摘　　要：通过生物信息学和同源建模分析发现甘薯mPPO含有588个氨基酸残基(aa),其N-端包含两段跨膜信号序列.二级结构预测结果显示,mPPO含有18个α-螺旋、9个β-转角、18个无规则卷曲,同时二硫键稳定着酶分子结构,活性中心被6个组氨酸包围.分子对接结果揭示了mPPO与底物的结合位点以及相互作用方式.In a present study,bioinformatics and homology modeling analysis showed that mPPO of sweet potato contained 588 amino acid residues,and its N-terminal contained two transmembrane signal sequences;secondary structure prediction results indicated that mPPO were composed of 18α-helices,9β-turns and 18 random coils,disulfide bonds stabilized the molecular structure of the enzyme,and the active center was surrounded by 6 molecules;and molecular docking results revealed the binding sites and the interaction modes between mPPO and its substrates.

关 键 词：甘薯 膜结合态多酚氧化酶 褐变 同源建模 分子对接 

分 类 号：Q946.5[生物学—植物学]