Conserved hydrophilic checkpoints tune FocA-mediated formate : H+ symport - Data

The dataset aggregates data supporting the scientific publication "Conserved hydrophilic checkpoints tune FocA-mediated formate:H+ symport", produced within the ERA Chair / Hot4Cryo project by the Institute of Chemical Biology of the National Hellenic Research Foundation (NHRF), in collaboration with the laboratory of Professor Panagiotis Kastritis at Martin Luther University Halle-Wittenberg. The dataset provides access to data deposited in scientific repositories. These include maps available in the Electron Microscopy Data Bank: EMD-51034 (wild-type FocA), EMD-52595 (asymmetric wild-type FocA), and EMD-51035 (FocA H209N variant), atomic models available in the Protein Data Bank: 9G49 (wild-type FocA), 9I3K (asymmetric wild-type FocA), and 9G4D (FocA H209N variant). Original movies and particle data available in EMPIAR: EMPIAR-12189 (wild-type FocA) and EMPIAR-12188 (FocA H209N variant). Mass spectrometry data are available in PRIDE: PXD054538 (cross-linking MS data). The input and configuration files from molecular dynamics simulations, as well as the Jupyter Notebooks used for analysis, are available at Zenodo 16939442.本数据集汇总了支撑学术论文《保守亲水检查点调控FocA介导的甲酸-H+同向转运》（Conserved hydrophilic checkpoints tune FocA-mediated formate:H+ symport）的相关研究数据，该数据集由希腊国家研究基金会化学生物学研究所（Institute of Chemical Biology of the National Hellenic Research Foundation, NHRF）依托ERA主席奖/Hot4Cryo项目开展，并与马丁路德大学哈雷-维滕贝格分校Panagiotis Kastritis教授的实验室合作完成。本数据集提供了各类科学数据库中存储数据的访问渠道，具体包括：电子显微镜数据库（Electron Microscopy Data Bank）中的冷冻电镜密度图：EMD-51034（野生型FocA）、EMD-52595（不对称野生型FocA）及EMD-51035（FocA H209N突变体）；蛋白质数据银行（Protein Data Bank）中的原子结构模型：9G49（野生型FocA）、9I3K（不对称野生型FocA）及9G4D（FocA H209N突变体）；EMPIAR数据库中的原始影像与粒子数据：EMPIAR-12189（野生型FocA）及EMPIAR-12188（FocA H209N突变体）；PRIDE数据库中的质谱数据：PXD054538（交联质谱数据）。分子动力学模拟所需的输入文件与配置文件，以及用于数据分析的Jupyter笔记本（Jupyter Notebooks）可在Zenodo 16939442平台获取。