Pseudocontact shifts (PCS) values are essential for studies of protein structure and dynamics. However, structural calcu-lations typically require multiple tags or labeling at multiple sites, which can be both time-consuming and expensive. In this study, we demonstrate that two independent sets of PCS values can be obtained using an azobenzene-based paramag-netic probe. Upon photo-isomerization, the magnetic field around the protein is redistributed, resulting in a distinct NMR spectrum and enabling the acquisition of a new set of structural constraints. This light-driven spatial motion of the para-magnetic center eliminates the need for additional mutations or chemical activators to induce magnetic transitions, pav-ing the way for the development of tensor-switchable paramagnetic tags.

中文翻译：

---

光驱动顺磁标签在蛋白质 NMR 波谱中实现高效的伪接触偏移测量


伪接触偏移 （PCS） 值对于蛋白质结构和动力学的研究至关重要。但是，结构计算通常需要在多个站点进行多个标记或标记，这可能既耗时又昂贵。在这项研究中，我们证明了使用基于偶氮苯的 paramag-netic 探针可以获得两组独立的 PCS 值。光异构化后，蛋白质周围的磁场被重新分布，从而产生不同的 NMR 谱图，并能够获得一组新的结构约束。顺磁中心的这种光驱动空间运动消除了对额外突变或化学激活剂来诱导磁跃迁的需求，为张量可切换顺磁标签的开发铺平了道路。