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首页> 外文期刊>Journal of Biomolecular Structure and Dynamics >Structure prediction and functional analyses of a thermostable lipase obtained from Shewanella putrefaciens
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Structure prediction and functional analyses of a thermostable lipase obtained from Shewanella putrefaciens

机译:从沉肠腐败液中获得的热稳定脂肪酶的结构预测和功能分析

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摘要

Previous experimental studies on thermostable lipase from Shewanella putrefaciens suggested the maximum activity at higher temperatures, but with little information on its conformational profile. In this study, the three-dimensional structure of lipase was predicted and a 60ns molecular dynamics (MD) simulation was carried out at temperatures ranging from 300 to 400K to better understand its thermostable nature at the molecular level. MD simulations were performed in order to predict the optimal activity of thermostable lipase. The results suggested strong conformational temperature dependence. The thermostable lipase maintained its bio-active conformation at 350K during the 60ns MD simulations.
机译:从雪兰菌属普雷雷替腊匹根的恒温脂肪酶的先前实验研究表明,在较高温度下的最大活性,但信息概况很少。 在该研究中,预测了脂肪酶的三维结构,并且在300至400K的温度下进行60ns的分子动力学(MD)模拟,以更好地了解其在分子水平上的热稳定性。 进行MD模拟以预测热稳定脂肪酶的最佳活性。 结果表明强大的构象温度依赖性。 在60ns MD模拟期间,热稳定脂肪酶在350K保持其生物主动构象。

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