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PFDB:具有温度校正的标准化蛋白质折叠数据库。

PFDB: A standardized protein folding database with temperature correction.

机构信息

School of Computational Sciences, Korea Institute for Advanced Study (KIAS), Seoul, Korea.

CPIS, the Graduate University for Advanced Studies (Sokendai), Hayama, Japan.

出版信息

Sci Rep. 2019 Feb 7;9(1):1588. doi: 10.1038/s41598-018-36992-y.

Abstract

We constructed a standardized protein folding kinetics database (PFDB) in which the logarithmic rate constants of all listed proteins are calculated at the standard temperature (25 °C). A temperature correction based on the Eyring-Kramers equation was introduced for proteins whose folding kinetics were originally measured at temperatures other than 25 °C. We verified the temperature correction by comparing the logarithmic rate constants predicted and experimentally observed at 25 °C for 14 different proteins, and the results demonstrated improvement of the quality of the database. PFDB consists of 141 (89 two-state and 52 non-two-state) single-domain globular proteins, which has the largest number among the currently available databases of protein folding kinetics. PFDB is thus intended to be used as a standard for developing and testing future predictive and theoretical studies of protein folding. PFDB can be accessed from the following link: http://lee.kias.re.kr/~bala/PFDB .

摘要

我们构建了一个标准化的蛋白质折叠动力学数据库(PFDB),其中列出的所有蛋白质的对数速率常数均在标准温度(25°C)下计算。对于折叠动力学最初在 25°C 以外的温度下测量的蛋白质,我们引入了基于 Eyring-Kramers 方程的温度校正。我们通过比较在 25°C 下预测的和实验观察到的 14 种不同蛋白质的对数速率常数来验证温度校正,结果表明数据库的质量得到了提高。PFDB 包含 141 种(89 种二态和 52 种非二态)单域球状蛋白质,是目前可用的蛋白质折叠动力学数据库中数量最多的。因此,PFDB 旨在用作开发和测试未来蛋白质折叠预测和理论研究的标准。PFDB 可以从以下链接访问:http://lee.kias.re.kr/~bala/PFDB。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e2fd/6367381/484637f3c07e/41598_2018_36992_Fig1_HTML.jpg

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