Отправить статью по E-mail Modeling of Phosphoribosylpyrophosphate Synthetase from Thermus Thermophilus in Complex with ATP and Ribose 5-Phosphate
- Авторы: Podshivalov D.D.1,2,3, Sidorov-Biryukov D.D.1,2, Timofeev V.I.1,2,3, Litunov A.A.1, Kostromina M.A.1, Sinitsyna K.V.1, Muravieva T.I.1, Kuranova I.P.1,2,3, Esipov R.S.1
-
Учреждения:
- Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
- Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics” Russian Academy of Sciences
- National Research Centre “Kurchatov Institute,”
- Выпуск: Том 64, № 1 (2019)
- Страницы: 94-97
- Раздел: Structure of Macromolecular Compounds
- URL: https://journals.rcsi.science/1063-7745/article/view/193621
- DOI: https://doi.org/10.1134/S1063774519010206
- ID: 193621
Цитировать
Открытый доступ
Доступ предоставлен
Только для подписчиков
Аннотация
The positions of the substrates (ATP and ribose 5 phosphate) of phosphoribosylpyrophosphate synthetase from Thermus thermophilus were determined by molecular dynamics simulations. The simulation brought the system to an equilibrium state, with the binding poses of the ligands in the active site being stable. Based on the results of simulation of the complex, the environment of the substrates was analyzed and the amino-acid residues of the enzyme that form polar interactions with the substrates were identified. Candidate sites for mutagenesis, which can be mutated in order to broaden the substrate specificity toward ribose 5-phosphate, are proposed.
Об авторах
D. Podshivalov
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow; Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”Russian Academy of Sciences; National Research Centre “Kurchatov Institute,”
Email: tostars@mail.ru
Россия, Moscow, 117997; Moscow, 119333; Moscow, 123098
D. Sidorov-Biryukov
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow; Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”Russian Academy of Sciences
Email: tostars@mail.ru
Россия, Moscow, 117997; Moscow, 119333
V. Timofeev
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow; Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”Russian Academy of Sciences; National Research Centre “Kurchatov Institute,”
Автор, ответственный за переписку.
Email: tostars@mail.ru
Россия, Moscow, 117997; Moscow, 119333; Moscow, 123098
A. Litunov
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Россия, Moscow, 117997
M. Kostromina
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Россия, Moscow, 117997
K. Sinitsyna
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Россия, Moscow, 117997
T. Muravieva
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Россия, Moscow, 117997
I. Kuranova
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow; Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”Russian Academy of Sciences; National Research Centre “Kurchatov Institute,”
Email: tostars@mail.ru
Россия, Moscow, 117997; Moscow, 119333; Moscow, 123098
R. Esipov
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Россия, Moscow, 117997
Дополнительные файлы
