Fig. 1
From: Exploiting DNA Ligase III addiction of multiple myeloma by flavonoid Rhamnetin
RHM is a LIG3 binding flavonoid. A. Computational screening identify RHM as compound with best docking score to LIG3 positive charged groove on DBD. B. Left: Frontal view of RHM (blue spheres) binding mode within the positively charged groove of LIG3 DBD. Right: 3D representation of the best pose of RHM (blue sticks) docked into the DBD groove. Hydrogen bonds and π-cation interactions are represented by yellow and green dashed lines, respectively. C. 1H (top) and STD-NMR spectrum (bottom) of RHM in presence of LIG3 (100:1). The different groups involved in the binding are highlighted with different colors