Data underlying the chapter Mechanistic insights in Lactobacillus brevis alcohol dehydrogenase: stability and active site role of Ser143 and Tyr156

This dataset contains data collected during experiments at Delft University of Technology, as chapter of the dissertation written by Ewald Jongkind. The aim of this work was to engineer an alcohol dehydrogenase from Lactobacillus brevis (LbADH), to enable reductive amination with this enzyme. Method consisted of docking studies of energy-minimized mutant enzymes designed with FuncLib, purifying these enzymes and screening the mutant enzymes for reductive amination. Dataset includes output files from the algorithm FuncLib, DNA sequences of the single mutant LbADHs, SDS-PAGEs showing the purification of all enzymes and the reaction screenings and activites of the enzymes, determined by UV-VIS, calculated in Excel. Dataset includes a draft Supporting information accompanied with the raw data used for this work.

本数据集收录了埃瓦尔德·容金德（Ewald Jongkind）博士论文中作为其中一章的代尔夫特理工大学（Delft University of Technology）实验采集所得数据。本研究的目标是对短乳杆菌乙醇脱氢酶（Lactobacillus brevis alcohol dehydrogenase, LbADH）进行工程化改造，使其可用于催化还原胺化反应。研究方法涵盖基于FuncLib算法设计的能量最小化突变酶的分子对接实验、上述突变酶的蛋白纯化流程，以及针对突变酶的还原胺化活性筛选。数据集包含FuncLib算法的输出文件、单突变型LbADH的DNA序列、用于展示所有酶纯化过程的十二烷基硫酸钠-聚丙烯酰胺凝胶电泳（SDS-PAGE）结果，以及通过紫外-可见分光光度法（UV-VIS）测定、并经Excel软件统计计算的酶促反应筛选数据与酶活性数据。本数据集还包含与本研究所用原始数据配套的辅助信息初稿。