细胞外酶MnP降解聚乙烯的分子动力学研究  

Molecular Docking and Dynamic Stimulation of Extraceilular Manganese Peroxidase for Polyethylene of Biodegradtion

作　　者：姚学峰[1] 宋怡铃[1] 

机构地区：[1]北京航空航天大学生物与医学工程学院,北京100191

出　　处：《生物技术通报》2009年第S1期356-359,共4页Biotechnology Bulletin

基　　金：国家自然科学基金(20777006)

摘　　要：MnP酶(manganese peroxidase)已被鉴定为降解聚乙烯的关键酶,通过设计不同长度的碳链聚乙烯蜡为实验底物,分别与MnP结合分析。采用Auto dock分子对接软件进行结合能的预测。并用Gromacs软件模拟了水、离子环境下,底物复合物能量、空间构象的变化等情况。研究结果表明MnP酶只能催化C56以下的聚乙烯蜡,随着碳链长度的增加酶与底物结合越不稳定;能量分析表明随着碳链长度的增加,其动能逐渐降低,而总能量亦有降低的趋势。MnP is identified as a key enzyme in biodegradation of polyethylene.Author designs different carbon length of PE wax as substrate for enzyme.Using software of auto dock predicts binding energy,the results demonstrates that MnP can just catalyze carbon length only in range number of 56.Molecular stimulation is also carried on complex analysis,the results demonstrate kinetic energy will fall off when carbon number raise,and the total energy has the same trend except C49.

关 键 词：锰过氧化物酶 聚乙烯降解 分子动力学 结合能 生物降解 

分 类 号：Q55[生物学—生物化学]