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

  • Yu. V. Kordonskaya,
  • V. I. Timofeev,
  • M. A. Marchenkova,
  • Yu. V. Pisarevsky,
  • S. Yu. Silvestrova,
  • Yu. A. Dyakova,
  • M. V. Kovalchuk

摘要

Abstract

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.