Figure 4
From: Conformational stabilization as a strategy to prevent nucleophosmin mislocalization in leukemia
Prediction of C1 binding to the C-terminal domain of NPM. Structure of the C-terminal domain of NPM (PDB ID: 2LLH) is shown in surface (a) and cartoon representation (b) with binding pockets predicted using fpocket (orange) and LigSite (red). Binding mode as predicted by computational protein-ligand docking (c,d) suggests that the aromatic phenyl ring of C1 occupies the hydrophobic pocket presented in (a), and also establishes favorable polar interactions with solvent accessible residues. A close-up view of C1 in the pocket is shown in (c), with the surface of the domain coloured according to electrostatic surface potential, with charge ranging from -3 kT/e (deep red) to 3 kT/e (deep blue).
