Supporting protein structure data for "The structural context of mutations in proteins predicts their effect on antibiotic resistance"
Year: 2026
Type: dataset
Abstract: Supporting protein structure files for Green et al, "The structural context of mutations in proteins predicts their effect on antibiotic resistance". 01.structure_hits_filtered.csv metadata for the 3687 proteins with structures (from PDB or AlphaFold) that passed quality filtering, which includes removing low-confidence residues and requiring at least 30 residues to remain. Columns give the UniProt entry name (uid), UniProt accession (Entry), Rv locus tag (rv), structure set (set), PDB ID and chain where the structure comes from PDB (pdb_id, pdb_chain), and the number of residues remaining after filtering (filtered_length). filtered_distmaps.zip Input files for EVcouplings DistanceMaps (see: https://evcouplings.readthedocs.io/en/latest/evcouplings.compare.html) used in Green et al. These files initialize the Python class that holds all of the inter-residue distances in the protein as well as the information on each residue name and number. Each protein has two files named by UniProt accession: <accession>.npy, a square matrix of inter-residue distances, and <accession>.csv, a table of the name and number of each residue in the matrix. Together these initialize the Python class that holds all of the inter-residue distances in the protein. The zip contains files for 3758 proteins. 71 of these have fewer than 30 residues after filtering; they are not listed in 01.structure_hits_filtered.csv and were not used in the analysis.
Author: Green, Anna
Language: English
Subfield: Molecular Medicine
Domain: Life Sciences
Open Access status: green
OpenAlex ID: W7165402134