温度对热溶解素晶体前体簇稳定性的影响

IF 0.6 4区材料科学 Q4 CRYSTALLOGRAPHY

Crystallography Reports Pub Date : 2024-09-27 DOI:10.1134/S1063774524600480

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

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引用次数: 0

摘要

分子动力学方法估算了热溶解素晶体前体簇（六聚体）在较宽温度范围（10-90°C）内的稳定性。模拟结果表明，随着温度的升高，六聚体的稳定性通常会降低；但是，在所研究的任何温度下，六聚体都不会解离。在 60°C 的温度下，观察到六聚体的稳定性有所提高。这个温度接近热溶解酶的最大酶活性温度（70°C）。根据结果分析，热溶解素的结晶可在 60°C 温度下进行。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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

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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 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.

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来源期刊

Crystallography Reports 化学-晶体学

CiteScore

1.10

自引率

28.60%

发文量

审稿时长

4-8 weeks

期刊介绍： Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.