高等学校化学学报2018，Vol.39Issue(2)：255-262,8.DOI:10.7503/cjcu20170586
白腐菌漆酶耐盐性的生物信息学研究及氯离子、氧气和水分子输运通道分析
Salt Tolerance of T. Versicolor Laccase: Bioinformatics Study and Internal Transportation of Chloride, Dioxygen, and Water
摘要
Abstract
Laccase is a group of multicopper polyphenol oxidase that can catalyze oxidation of lignin and other molecules. Even though laccase is highly potential in energy and environment sciences, its applications are limited because of poor salt tolerance of commercial white rot fungi(T. versicolor) laccase. In this paper, bioinformatics analysis was conducted on available sequences and structures in protein data bank ( PDB) database, and internal transportation of chloride, dioxygen, and water molecules were studied in more detail. Random acceleration molecular dynamics simulations, with a small randomly oriented force to exert small mol-ecule from the laccase active site, indicated that five transportation channels(p1—p5) existed in T. versicolor laccase. Among them, p1, p3, and p4 were consistent with results of the previous literatures, while p2 and p5 were new transport pathways. In particular, internal chloride transportation was found to be more constrained than those for oxygen and water molecules, dominantly via p1 and p4 channels. Phylogenetic tree analysis in-dicated that, besides structural conservation for laccases, most salt-resistant laccase were expressed by bacteri-a, rather than plants and fungi. Moreover, it was found that acidic and aromatic amino acid residues were sig-nificantly enriched around the p4 channel in the high-tolerant species, which may help to prevent the chloride transportation and increase its saline-tolerance.关键词
漆酶/耐盐性/系统发生树/随机加速分子动力学模拟/蛋白质内部分子输运Key words
Laccase/Salt tolerance/Phylogenetic tree/Random acceleration molecular dynamics simulation/Protein internal molecules transportation分类
化学化工引用本文复制引用
李文娟,赵一雷..白腐菌漆酶耐盐性的生物信息学研究及氯离子、氧气和水分子输运通道分析[J].高等学校化学学报,2018,39(2):255-262,8.基金项目
国家自然科学基金(批准号:21377085)资助.Supported by the National Natural Science Foundation of China(No.21377085). （批准号:21377085）
