Structural basis of GAIN domain autoproteolysis and cleavage-resistance in the adhesion G-protein coupled receptors

Structural basis of GAIN domain autoproteolysis and cleavage-resistance in the adhesion G-protein coupled receptors This dataset contains: 1. Molecular Dynamics Dataset serving for the shown MD analysis human ADGRB2 Simulations on the wild-type sequence with histidine in all three hetero states (b2-hsd, b2-hse, b2-hsp), as well as the double mutation S876F/N893G in the same manner (b2-mut-hsd, b2-mut-hse, b2-mut-hsp). rat ADGRL1 uncleaved model MD simulations on the wild-type sequence with histidine in all three hetero states (l1-hsd, l1-hse, l1-hsp) Each trajectory contains the glycosylated protein with a 100 ps timestep (~15000 frames). Further MD data is available upon request. 2. ZIP archives with raw data underlying Figures from the manuscript and supplemental information Figures_6_and_S13.zip Raw scans of the gels used for Figures 6 and S13 Figures_7_and_S15.zip Raw scans of the gels used for Figures 7 and S15 Images of these gels after ImageJ linear scaling Saved files from GelAnalyzer for quantifying the band intensities Excel sheets with compiled data GraphPad Prism analysis of the data Figures_S14.zip Raw scans and GelAnalyzer evaluation of the gels shown in Figure S14 Figures_S16.zip Raw scans of the gels used for Figure S16 sequence_alignments.zip Sequences (fasta format) of the constructs used in the study and multiple squence alignment with annotation for use in program Jalview.黏附类G蛋白偶联受体中GAIN结构域（GAIN domain）自蛋白水解及抗切割特性的结构基础 本数据集包含如下内容： 1. 分子动力学（Molecular Dynamics, MD）数据集，用于支撑前述分子动力学分析： - 人类ADGRB2模拟：针对野生型序列，在组氨酸的三种杂化状态（b2-hsd、b2-hse、b2-hsp）下开展模拟；同时针对携带S876F/N893G双突变的序列，以相同方式完成模拟（b2-mut-hsd、b2-mut-hse、b2-mut-hsp）。 - 大鼠ADGRL1未切割模型模拟：针对野生型序列，在组氨酸的三种杂化状态（l1-hsd、l1-hse、l1-hsp）下开展分子动力学模拟。 每条轨迹均包含糖基化蛋白，采样步长为100皮秒（约15000帧）。如需获取更多分子动力学数据，可联系申请。 2. 包含论文正图及补充材料对应原始实验数据的ZIP压缩包： - Figures_6_and_S13.zip：内含用于制作图6及补充图S13的凝胶电泳原始扫描图像。 - Figures_7_and_S15.zip：内含用于制作图7及补充图S15的凝胶电泳原始扫描图像、经ImageJ线性缩放后的凝胶图像、用于定量条带强度的GelAnalyzer分析文件、整理后的Excel数据表以及基于GraphPad Prism完成的数据分析结果。 - Figures_S14.zip：内含补充图S14对应凝胶的原始扫描图像及GelAnalyzer分析结果。 - Figures_S16.zip：内含补充图S16对应凝胶的原始扫描图像。 - sequence_alignments.zip：内含本研究使用的构建体序列（FASTA格式）以及可在Jalview软件中使用的带注释多序列比对文件。