Effect of Temperature on the Stability of the Precursor Cluster of the Thermolysin Crystal

The stability of the precursor cluster (hexamer) of the thermolysin crystal over a wide temperature range (10–90°C) has been estimated by the molecular dynamics method. The simulation results showed that, with an increase in temperature, the stability of the hexamer generally decreases; however, the...

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Bibliographic Details
Published in:Crystallography reports 2024-08, Vol.69 (4), p.577-582
Main Authors: Kordonskaya, Yu. V., Timofeev, V. I., Marchenkova, M. A., Pisarevsky, Yu. V., Silvestrova, S. Yu, Dyakova, Yu. A., Kovalchuk, M. V.
Format: Article
Language:English
Subjects:
Clusters
Crystal Growth
Crystallization
Crystallography and Scattering Methods
Molecular dynamics
Physics
Physics and Astronomy
Precursors
Stability
Temperature effects
Thermolysin
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Summary:The stability of the precursor cluster (hexamer) of the thermolysin crystal over a wide temperature range (10–90°C) has been estimated by the molecular dynamics method. The simulation results showed that, with an increase in temperature, the stability of the hexamer generally decreases; however, the hexamer does not dissociate at any of the investigated temperatures. At a temperature of 60°C, an increase in the hexamer stability has been observed. This temperature is close to the temperature of maximum enzymatic activity of thermolysin (70°C). It is suggested, based on the analysis of the results, that the crystallization of thermolysin can be carried out at 60°C.
ISSN:1063-7745
1562-689X
DOI:10.1134/S1063774524600480