Temperature influence on the stability of the precursor cluster of the thermolysin crystal

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We used the molecular dynamics method to assess the stability of the precursor-cluster (hexamer) of thermolysin crystal over a wide range of temperatures (10–90°C). The simulation results showed that as the temperature increases, the stability of the hexamer, in general, decreases, however, the hexamer does not dissociate at any of the considered temperatures. At a temperature of 60°C, an increase in the stability of the hexamer was observed. This value is close to the temperature of maximum enzymatic activity of thermolysin (70°C). Based on the analysis of the results, it was assumed that the crystallization of thermolysin could be carried out at 60°C.

作者简介

Y. Kordonskaya

National Research Centre “Kurchatov Institute”

编辑信件的主要联系方式.
Email: yukord@mail.ru
俄罗斯联邦, Moscow

V. Timofeev

NRC “Kurchatov Institute”

Email: yukord@mail.ru

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics

俄罗斯联邦, Moscow

M. Marchenkova

NRC “Kurchatov Institute”; Southern Federal University

Email: yukord@mail.ru

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics; The Smart Materials Research Institute

俄罗斯联邦, Moscow; Rostov-on-Don

Y. Pisarevsky

NRC “Kurchatov Institute”

Email: yukord@mail.ru

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics

俄罗斯联邦, Moscow

S. Silvestrova

The Loginov Moscow Clinical Scientific Center Moscow Health Department

Email: yukord@mail.ru
俄罗斯联邦, Moscow

Y. Dyakova

National Research Centre “Kurchatov Institute”

Email: yukord@mail.ru
俄罗斯联邦, Moscow

M. Kovalchuk

National Research Centre “Kurchatov Institute”; NRC “Kurchatov Institute”

Email: yukord@mail.ru

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics

俄罗斯联邦, Moscow; Moscow

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