Vibrational couplings between protein and cofactor in bacterial phytochrome Agp1 revealed by 2D-IR spectroscopy

Buhrke, David; Michael, Norbert; Hamm, Peter

doi:10.1073/pnas.2206400119

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Buhrke, D., Michael, N., & Hamm, P. (2022). Vibrational couplings between protein and cofactor in bacterial phytochrome Agp1 revealed by 2D-IR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America, 119(31), e2206400119. https://doi.org/10.1073/pnas.2206400119

Abstract

Significance Two-dimensional infrared absorption (2D-IR) spectroscopy is severely limited in its application to larger proteins due to broad and overlapping signals in the amide I region. Here, we overcome this limitation and isolate couplings between pairwise two single-molecular groups in the biotechnologically relevant phytochrome Agp1 (510 aa) by calculating light-induced difference spectra. In phytochromes, the photoactivation of a cofactor with a relatively small structural change triggers a large-scale refolding of big parts of