用19F- endor信号强度积分测量19F和Gd3+之间蛋白质和刚性尺的纳米距离

IF 14.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of the American Chemical Society Pub Date : 2025-05-06 DOI:10.1021/jacs.4c13530

Martyna Judd, Mian Qi, Elwy H. Abdelkader, Haocheng Qianzhu, Anton Savitsky, Thomas Huber, Jeffrey R. Harmer, Adelheid Godt, Gottfried Otting, Nicholas Cox

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引用次数: 0

摘要

在结构生物学中，19F ENDOR正成为一种强大的工具，用于测量用19F和顺磁标签标记的蛋白质的距离。由于自旋-自旋弛豫和线宽限制，很难确定大于约15 Å的标签间距离。使用一组几何上定义良好的尺子和自旋标记的蛋白质，我们表明，通过积分ENDOR光谱的强度，可以获得19F-Gd3 +距离高达20 Å，距离接近30 Å也可能达到。当强度缩放到已知参考值时，该方法具有鲁棒性，并为蛋白质-配体复合物中配体坐标的纳米尺度三角测量提供了范围。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Measuring Nanometer Distances in Proteins and Rigid Rulers between 19F and Gd3+ by Integration of 19F-ENDOR Signal Intensities

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Measuring Nanometer Distances in Proteins and Rigid Rulers between 19F and Gd3+ by Integration of 19F-ENDOR Signal Intensities

¹⁹F ENDOR is emerging as a powerful tool in structural biology for measuring distances in proteins labeled with ¹⁹F and a paramagnetic tag. Due to spin–spin relaxation and line width limitations, it has been difficult to determine intertag distances larger than about 15 Å. Using a set of geometrically well-defined rulers and spin-labeled proteins, we show that ¹⁹F–Gd³⁺ distances up to 20 Å can be accessed by integrating the intensity of the ENDOR spectrum, with distances approaching 30 Å potentially in reach as well. This method is robust when the intensities are scaled to a known reference, and provides scope for nanometer-scale triangulation of the coordinates of a ligand in a protein–ligand complex.

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来源期刊

Journal of the American Chemical Society 化学-化学综合

CiteScore

24.40

自引率

6.00%

发文量

2398

审稿时长

1.6 months

期刊介绍： The flagship journal of the American Chemical Society, known as the Journal of the American Chemical Society (JACS), has been a prestigious publication since its establishment in 1879. It holds a preeminent position in the field of chemistry and related interdisciplinary sciences. JACS is committed to disseminating cutting-edge research papers, covering a wide range of topics, and encompasses approximately 19,000 pages of Articles, Communications, and Perspectives annually. With a weekly publication frequency, JACS plays a vital role in advancing the field of chemistry by providing essential research.