AlphaFold2 structural models of three strain-unique proteins from Bacillus safensis Bcp62 (BlmR bleomycin-resistance protein, M48-family metallopeptidase FtsH, Type I restriction endonuclease HsdR)

Abstract

This dataset contains three predicted 3D structures (PDB format) of strain-unique proteins from Bacillus safensis strain Bcp62, isolated from the Merzouga Sahara desert (south-eastern Morocco). Models were generated with AlphaFold2 v2.3.1 via the ColabFold pipeline (num-recycles 6; top-pLDDT model selected) and validated with the SAVES v6.0 pipeline (PROCHECK/RAMPAGE Ramachandran analysis, ERRAT, Verify3D, G-Factor). 1. Bleomycin_resistance_protein_BlmR.pdb: bleomycin-resistance protein (BlmR), 134 residues, glyoxalase-I-like superfamily fold. Ramachandran core 90.0%, ERRAT 83.5%, Verify3D 88.3%. 2. M48_metallopeptidase_FtsH.pdb: M48-family metallopeptidase (FtsH), 224 residues, alpha-helical catalytic domain with conserved HEXXH zinc-binding motif. Ramachandran core 92.2%, ERRAT 89.3%, Verify3D 92.5%. 3. Type_I_restriction_endonuclease_HsdR.pdb: Type I restriction endonuclease subunit R (HsdR), 1,061 residues, N-terminal SF2 helicase module and C-terminal nuclease domain. Ramachandran core 90.7%, ERRAT 96.0%, Verify3D 85.7%. The corresponding genes are located on genomic islands I to III of the Bcp62 chromosome (NCBI accession JAKLOV000000000). All structures are computational predictions intended as mechanistic hypotheses and templates for downstream docking and molecular-dynamics studies; experimental validation is required.