St. Petersburg Polytechnic University Journal: Physics and Mathematics Научно-технические ведомости СПбГПУ. Физико-математические науки 2304-9782, 2618-8686, 2405-7223 3 A decrease in flexibility of mouse methionine-sulfoxide reductase B1 because of oxidation Снижение конформационной подвижности белка метионинсульфоксид-редуктазы B1 мыши в результате окисления Rychkov Georgy rychkov@omrb.pnpi.spb.ru Povarov Nikita npovarov@spbstu.ru 0000-0003-0462-1157 Yakimov Alexander Shabalin Konstantin Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute» Peter the Great St. Petersburg Polytechnic University 18 10 2010 3 104 21 26

The spatial structure of mouse MsrBl protein in oxidized state has been determined with molecular mechanics and molecular dynamics computational methods and a possible mechanism of its oxidation has been analyzed. It was found that the disulphide bond formed upon protein oxidation, decreases flexibility of its polypeptide chain, excluding regions responsible for substrate binding and for interaction with tioredoxin.

 cell redox system methionine-sulfoxide reductase protein spatial structure oxidized state protein flexibility