Retrospective study for the universal applicability of the residue-based linear free energy relationship in the two-state exchange of protein molecules.
Retrospective study for the universal applicability of the residue-based linear free energy relationship in the two-state exchange of protein molecules.
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DOI：
10.1038/s41598-022-21226-z
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发表时间：
2022-10-07
影响因子：
4.6
通讯作者：
中科院分区：
文献类型：
--
作者：
多探针测量，如NMR和氢交换研究，可以提供平衡常数，K，以及在每个残基的基础上多肽的两态结构变化的前向和后向过程的速率常数k和k′。我们以前发现了一个27个残基的生物活性肽的拓扑交换的log K和log k以及log K和log k′之间的线性关系。为了检验基于残基的线性自由能关系（rbLEFR）的普遍适用性，我们进行了文献检索以收集各种交换过程中残基特异性的K、k和k′值，包括折叠-解折叠平衡、内在无序肽的耦合折叠和结合以及折叠蛋白质的结构波动。在大量的双对数图中良好的线性证明了rbLFER适用于各种蛋白质相关现象中的结构变化。在这些成功的案例中，脱辅基肌红蛋白折叠中间体的氢交换研究特别有趣。我们发现偏离线性关系的残基对应于α-螺旋，其瞬时易位已被其他实验鉴定。因此，rbLFER是有用的研究蛋白质分子的结构和能量的动态状态。
Multiprobe measurements, such as NMR and hydrogen exchange studies, can provide the equilibrium constant, K, and rate constants for forward and backward processes, k and k′, of the two-state structural changes of a polypeptide on a per-residue basis. We previously found a linear relationship between log K and log k and between log K and log k′ for the topological exchange of a 27-residue bioactive peptide. To test the general applicability of the residue-based linear free energy relationship (rbLEFR), we performed a literature search to collect residue-specific K, k, and k′ values in various exchange processes, including folding-unfolding equilibrium, coupled folding and binding of intrinsically disordered peptides, and structural fluctuations of folded proteins. The good linearity in a substantial number of the log–log plots proved that the rbLFER holds for the structural changes in a wide variety of protein-related phenomena. Among the successful cases, the hydrogen exchange study of apomyoglobin folding intermediates is particularly interesting. We found that the residues that deviated from the linear relationship corresponded to the α-helix, for which transient translocation had been identified by other experiments. Thus, the rbLFER is useful for studying the structures and energetics of the dynamic states of protein molecules.
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通过二维外推时间零（1）H-（13）C HSQC（HSQC（0））同时定量和鉴定代谢物混合物中的单个化学物质。
影响因子：
15
作者：
Hu K;Westler WM;Markley JL
通讯作者：
Markley JL
影响因子：
2.9
作者：
Aoto PC;Nishimura C;Dyson HJ;Wright PE
通讯作者：
Wright PE
影响因子：
48
作者：
Masson, Glenn R.;Burke, John E.;Rand, Kasper D.
通讯作者：
Rand, Kasper D.
DOI：
10.1073/pnas.90.16.7814
发表时间：
1993-08-15
影响因子：
11.1
作者：
MATOUSCHEK, A;FERSHT, AR
通讯作者：
FERSHT, AR
DOI：
10.1016/j.str.2008.05.009
发表时间：
2008-08-06
期刊：
Structure (London, England : 1993)
影响因子：
--
作者：
Miloushev VZ;Bahna F;Ciatto C;Ahlsen G;Honig B;Shapiro L;Palmer AG 3rd
通讯作者：
Palmer AG 3rd