Enviar artigo por via de e-mail Modeling of Phosphoribosylpyrophosphate Synthetase from Thermus Thermophilus in Complex with ATP and Ribose 5-Phosphate
- Autores: 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
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Afiliações:
- 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,”
- Edição: Volume 64, Nº 1 (2019)
- Páginas: 94-97
- Seção: Structure of Macromolecular Compounds
- URL: https://journals.rcsi.science/1063-7745/article/view/193621
- DOI: https://doi.org/10.1134/S1063774519010206
- ID: 193621
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Resumo
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.
Sobre autores
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
Rússia, 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
Rússia, 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,”
Autor responsável pela correspondência
Email: tostars@mail.ru
Rússia, Moscow, 117997; Moscow, 119333; Moscow, 123098
A. Litunov
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Rússia, Moscow, 117997
M. Kostromina
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Rússia, Moscow, 117997
K. Sinitsyna
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Rússia, Moscow, 117997
T. Muravieva
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Rússia, 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
Rússia, Moscow, 117997; Moscow, 119333; Moscow, 123098
R. Esipov
Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Moscow
Email: tostars@mail.ru
Rússia, Moscow, 117997
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