Open Access
Identification of the Precursor Cluster in the Crystallization Solution of Proteinase K Protein by Molecular Dynamics Methods
Publication type: Journal Article
Publication date: 2022-03-31
scimago Q2
wos Q2
SJR: 0.486
CiteScore: 5.0
Impact factor: 2.4
ISSN: 20734352, 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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Total citations:
9
Citations from 2025:
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(11.11%)
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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.
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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.
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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 -
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BibTex (up to 50 authors)
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@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}
}
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MLA
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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.