Russian Journal of Biological Physics and Chemisrty Russian Journal of Biological Physics and Chemisrty АКТУАЛЬНЫЕ ВОПРОСЫ БИОЛОГИЧЕСКОЙ ФИЗИКИ И ХИМИИ 2499-9962 54019 МОЛЕКУЛЯРНАЯ БИОФИЗИКА И ФИЗИКА БИОМОЛЕКУЛ MOLECULAR BIOPHYSICS AND PHYSICS OF BIOMOLECULES МОЛЕКУЛЯРНАЯ БИОФИЗИКА И ФИЗИКА БИОМОЛЕКУЛ THE MOLECULAR MECHANISM OF THE ADSORPTION IMMOBILIZATION OF INULINASE ON MATRICES OF ION-EXCHANGERS AV-17-2P AND KU-2 МОЛЕКУЛЯРНЫЙ МЕХАНИЗМ АДСОРБЦИОННОЙ ИММОБИЛИЗАЦИИ ИНУЛИНАЗЫ НА МАТРИЦАХ ИОНИТОВ АВ-17-2П И КУ-2 Холявка М Г Holyavka M G marinaholyavka@yahoo.com Кондратьев М С Kondratyev M C Самченко А А Samchenko A A Кабанов А В Kabanov A V Комаров В М Komarov B M Артюхов Валерий Григорьевич Artyukhov Valeriy Grigor'evich

доктор биологических наук;

doctor of sciences in biology;

 Воронежский государственный университет ru Voronezh State University ru Институт биофизики клетки РАН ru Institute of Cell Biophysics of the Russian Academy of Science ru Институт биофизики клетки РАН ru Institute of Cell Biophysics of the Russian Academy of Science ru Институт биофизики клетки РАН ru Institute of Cell Biophysics of the Russian Academy of Science ru Институт биофизики клетки РАН ru Institute of Cell Biophysics of the Russian Academy of Science ru Воронежский государственный университет Voronezh State University 25 06 2016 25 06 2016 1 1 161 164 20 06 2016 20 06 2016 https://rusjbpc.ru/en/nauka/article/54019/view

Определены значения аффинностей связывания инулиназы с носителями для иммобилизации - фрагментами матриц ионообменных смол КУ-2 и АВ-17-2П. Исследованы условия и механизмы иммобилизации: в расчетных данных при формировании комплекса инулиназы с матрицей смолы КУ-2 значительную роль играют ван-дер-ваальсовы взаимодействия и водородные связи, анионит АВ-17-2П не образует с инулиназой водородных связей, а формирует только ван-дер-ваальсовы взаимодействия. Установлено, что, несмотря на значительное совпадение аминокислотных остатков в контактной области комплекса фермент-носитель, которое для катионита КУ-2 составляет 60 % от общего числа аминокислот, участвующих в формировании связей при иммобилизации, а для анионита - 47 % от их числа, механизмы процесса адсорбции инулиназы на матрицах положительно и отрицательно заряженных лигандов существенно отличаются друг от друга.

We study the conditions and mechanisms of immobilization of inulinase with immobilization carriers (fragments of matrices of ion-exchanger KU-2 and AV-17-2P) and find their binding affinities. The calculated data show a significant role played by van der Waals interaction and hydrogen bonds in forming complexes of inulinase with a matrix of KU-2 resin, while AV-17-2P doesn't form hydrogen binding with inulinase, but forms only van der Waals interaction. It is established that, despite considerable coincidence of the amino acid in contact area of enzyme-carrier complex (which constitutes 60% of total number of the amino acids participating in the immobilization bond for KU-2 and 47% for AV-17-2P), mechanisms of adsorption of inulinase on positive and negatively charged ligand matrices significantly differ from each other.

 компьютерное моделирование инулиназа иммобилизация молекулярный докинг КУ-2 АВ-17-2П computer modeling inulinase immobilization molecular docking KU-2 AV-17-2P

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