Fig. 3. (a) A cross section of the αD pocket of 1 (green) bound to CK2α. The first two water molecules in the water channel are shown (PDB: ; 5CSH). (b) The structure of the αD loop (in grey) in the closed conformation of the apo protein (PDB: ; 5CSP).19 Tyr125 fills the mouth of the water channel. The binding mode of 1 (in green) superimposed on the apo structure is shown, with 1 occupying the same position as Phe121.
