AlphaFold 3 structural models of DsrMKJOP-related complexes across sulfur-metabolizing prokaryotes

This dataset contains AlphaFold 3–predicted structural models of DsrMKJOP and related membrane redox complexes involved in dissimilatory sulfur metabolism. The collection includes predictions of DsrMK and DsrMKJOP from sulfate- and sulfite-reducing prokaryotes. In addition, AlphaFold 3 predictions of the nitrate reductase complex NarGHI from Escherichia coli and Archaeoglobus fulgidus DsrMKJOP are included as benchmark structures, serving as structural prototypes for DsrM-1 and DsrM-2, respectively. Additional AlphaFold 3 predictions are provided for DsrMKJOP complexes from sulfur-oxidizing bacteria, and for DsrMKJ and DsrOhPhCyt assemblies from cable bacteria, alongside predicted DsrOhPhCyt structures from closely related Pseudomonadota. These models support comparative structural and evolutionary analyses of quinone-interacting membrane complexes in sulfur-metabolizing microorganisms and are intended as a resource for hypothesis generation and further experimental validation. For each prediction, five structures were generated from a single random seed, provided in CIF format. The corresponding confidence metrics for each prediction are reported in accompanying JSON files. These data files are included as part of the Supplementary Information for the paper "Structural basis of sulfide production in dissimilatory sulfur metabolism".本数据集收录了AlphaFold 3（AlphaFold 3）预测的DsrMKJOP及参与异化硫代谢的相关膜氧化还原复合物的结构模型。该数据集包含来自硫酸盐还原与亚硫酸盐还原原核生物的DsrMK及DsrMKJOP预测模型。此外，本数据集还纳入了大肠杆菌（Escherichia coli）硝酸还原酶复合物NarGHI，以及炽热古球菌（Archaeoglobus fulgidus）DsrMKJOP的AlphaFold 3预测结果，二者分别作为DsrM-1与DsrM-2的结构基准原型。另有来自硫氧化细菌的DsrMKJOP复合物、电缆细菌的DsrMKJ与DsrOhPhCyt组装体的AlphaFold 3预测结果，以及近缘变形菌门（Pseudomonadota）的DsrOhPhCyt预测结构。 本数据集的结构模型可用于硫代谢微生物中醌相互作用膜复合物的比较结构与进化分析，旨在为假说构建及后续实验验证提供研究资源。每项预测均基于单个随机种子生成5个结构，以CIF格式提供。每项预测对应的置信度指标详见配套的JSON文件。 上述数据文件作为论文《异化硫代谢中硫化物产生的结构基础》（"Structural basis of sulfide production in dissimilatory sulfur metabolism"）的补充材料的一部分予以收录。