MNTR PROTEINS AS MANGANESE METALLOSENZORS IN BACILUS SUBTILUS AND MYCOBACTERIUM TUBERCULOSIS (CROSBI ID 724318)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Bertoša, Branmir ; Jelić Matošević, Zoe ; Brajković, Mislav ; Leščić Ašler, Ivana ; Neves, Rui P. P. ; Fernandes, Pedro A. ; Cukrowski, Ignacy
engleski
MNTR PROTEINS AS MANGANESE METALLOSENZORS IN BACILUS SUBTILUS AND MYCOBACTERIUM TUBERCULOSIS
Manganese ions (Mn2+) are essential for bacteria since they are necessary for basic cellular processes such as DNA replication and resistance to oxidative stress. On the other hand, manganese ions are toxic for the cell if present in high concentrations. Therefore, bacteria must have sensitive cellular mechanisms through which manganese homeostasis is regulated.[1] Often, such mechanisms in (pathogenic) bacteria differ from those in eukaryotes, which makes them a potential target for the development of novel antibiotics. An example of such a pathogenic bacterium is Mycobacterium tuberculosis whose manganese homeostasis is regulated by the MntR transcription factor.[2] A similar mechanism is present in the nonpathogenic bacterium Bacillus subtilis, where the MntR transcriptional factor regulates cellular concentrations of manganese (Mn2+) ions. In the first step, both MntR proteins, from B. subtilis and M. tuberculosis, were studied using computational methods. Starting from available crystal structures, MntR proteins in different forms were prepared for molecular dynamics (MD) simulations. Since hydrogen bond networks present in the protein structure might have an important role in the protein’s molecular mechanisms, different approaches for adding polar hydrogen atoms were used. The prepared systems were subjected to extensive all-atom molecular dynamics simulations in order to explore their structural and dynamical properties. Computational results will serve as a starting point to design experimental research aiming to reveal the molecular mechanism(s) of the studied manganese metallosensors.
molecular dynamics, transcription factors, manganese metalosensors
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Podaci o prilogu
536-536.
2022.
objavljeno
Podaci o matičnoj publikaciji
EuChems Chemistry Congress
Podaci o skupu
8th EuChemS Chemistry Congress (ECC8)
poster
28.08.2022-01.09.2022
Lisabon, Portugal