Fig. 2. Modulation of conformational dynamics of FXR LBD by prenylflavonoids.
Time course of percent deuterium incorporation observed for apo FXR LBD in comparison to the time courses of deuterium uptake observed for co-incubation and labelling experiment of FXR LBD in presence of each of the prenylflavonoids, XN, IX, 8PN, and TX. Deuterium uptake is color-coded as indicated and mapped onto PDB 1OT7. Prenylflavonoid interactions result in gain in conformational stability in FXR-LBD reflected in lower deuterium uptake over time. Deuterium exchange data (%D) for all peptides monitored for all labeling times for FXR-LBD in presence of the different prenylflavonoids are compiled in Fig. S5. Because the N-terminal region (201–241) is not visible in the crystal structure PDB 1OT7 no color-coded HDX-MS map could be provided for this region.