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 DsrO_hP_hCyt assemblies from cable bacteria, alongside predicted DsrO_hP_hCyt 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".