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volume 12 issue 4 pages 484

Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods

Publication typeJournal Article
Publication date2022-03-31
scimago Q2
wos Q2
SJR0.486
CiteScore5.0
Impact factor2.4
ISSN20734352, 01725076
Inorganic Chemistry
General Chemical Engineering
Condensed Matter Physics
General Materials Science
Abstract

It is known that precursor clusters appear in solution prior to protein crystallization. For proteinase K, as it was found by SAXS, such clusters are dimers, but the accuracy of the method did not allow for determining its type. In this work, the behavior of six possible types of precursor clusters was simulated by the molecular dynamics technique. Stability analysis revealed the most probable type of dimer formed in the proteinase K solution before its crystallization. SAXS data modelling also supported the MD calculations. The dynamics of this precursor cluster was modeled at three temperatures: 20, 30, and 40 °C. At 40 °C, an abnormal increase in the stability of the thermophilic proteinase K was found.

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Kordonskaya Y. V. et al. Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods // Crystals. 2022. Vol. 12. No. 4. p. 484.
GOST all authors (up to 50) Copy
Kordonskaya Y. V., Timofeev V. I., Marchenkova M. A., Konarev P. V. Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods // Crystals. 2022. Vol. 12. No. 4. p. 484.
RIS |
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RIS Copy
TY - JOUR
DO - 10.3390/cryst12040484
UR - https://doi.org/10.3390/cryst12040484
TI - Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods
T2 - Crystals
AU - Kordonskaya, Yuliya V
AU - Timofeev, Vladimir I.
AU - Marchenkova, Margarita A
AU - Konarev, Petr V.
PY - 2022
DA - 2022/03/31
PB - MDPI
SP - 484
IS - 4
VL - 12
SN - 2073-4352
SN - 0172-5076
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2022_Kordonskaya,
author = {Yuliya V Kordonskaya and Vladimir I. Timofeev and Margarita A Marchenkova and Petr V. Konarev},
title = {Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods},
journal = {Crystals},
year = {2022},
volume = {12},
publisher = {MDPI},
month = {mar},
url = {https://doi.org/10.3390/cryst12040484},
number = {4},
pages = {484},
doi = {10.3390/cryst12040484}
}
MLA
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MLA Copy
Kordonskaya, Yuliya V., et al. “Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods.” Crystals, vol. 12, no. 4, Mar. 2022, p. 484. https://doi.org/10.3390/cryst12040484.