Structural characterization of the abc molybdate and oligopeptide transporters in mycobacterium tuberculosis using bioinformatics
DOI:
https://doi.org/10.24933/e-usf.v8i1.382Keywords:
Multiresistance, Bioinformatics, Rational drug design, Structural BiologyAbstract
Mycobacterium tuberculosis, the tuberculosis pathogen, poses a significant challenge to public health due to antibiotic resistance and associated high mortality, necessitating the constant search for new antimicrobials. One potential therapeutic target is the ABC transporters of molybdate and oligopeptides, as they play a crucial role in the bacterium's survival by importing these essential nutrients into its cell interior. Thus, the aim of this study is to identify and characterize these transporters in M. tuberculosis through in silico analyses. A complete system of ABC transporters was identified for each of the studied nutrients, comprising SBP, permeases, and ATPases, organized in unique operons in the genome. Structurally, SBP exhibited signal peptide regions indicating extracellular functions, while permeases showed six transmembrane regions, suggesting membrane localization. ATPases were identified by the presence of the characteristic AAA domain. The SBP, ModA and OppA, displayed conserved three-dimensional structures, classified as type II SBPs, and sequence analysis identified conserved amino acids in the binding pockets of SBP, suggesting interactions with substrates. These results highlight potential targets for antimicrobial therapies, providing insights for future investigations into the interaction mechanism between SBPs and their transported substrates.
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