Dual reaction mechanism of glycosyltransferase GlfT2 from Mycobacterium Tuberculosis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F18%3A00108903" target="_blank" >RIV/00216224:14740/18:00108903 - isvavai.cz</a>
Result on the web
<a href="https://www.cecam.org/workshop-3-1642.html?poster_id=19418" target="_blank" >https://www.cecam.org/workshop-3-1642.html?poster_id=19418</a>
DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Dual reaction mechanism of glycosyltransferase GlfT2 from Mycobacterium Tuberculosis
Original language description
Glycosyltransferases are enzymes that catalyze the transfer of saccharide units and the formation of glycosidic bonds. Galactofuranosyltransferase 2 (GlfT2) is a key glycosyltransferase from Mycobacterium Tuberculosis. It catalyzes the transfer of galactofuranosyl (Galf) unit from donor substrate UDP-Galf onto a growing polysaccharide chain in alternating beta-(1-5) or beta-(1-6) linkages. The resulting galactan is a key part of the mycobacterial cell wall. GlfT2 is an interesting glycosyltransferase from a mechanistic point of view as well. It has a dual activity and works in processive manner switching the beta-(1-5) or beta-(1-6) mechanisms between steps. In order to study the two mechanisms of GlfT2 we have employed QM/MM Ab Initio MD using CPMD. Metadynamics is used to provide overview of the free energy landscape of the beta-(1-6) reaction and string method is used to obtain a minimum free energy paths for both beta-(1-6) and beta-(1-5) reactions. We show that both reactions proceed very similarly and feature similar transition-state structures.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
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OECD FORD branch
10400 - Chemical sciences
Result continuities
Project
<a href="/en/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů