Figure 3.

Conformational changes involved in the DFD flip. Snapshots (as shown in the inset) were taken from the trajectory at 17.13, 17.17, 17.21, 17.29, 17.33, and 17.34 ns in the Mnk2-in model. As indicated by the white arrow, starting from conformation 1 (the active DFD-in conformation, right-hand structure), Phe227 leaves the buried hydrophobic pocket and flips clockwise to a solvent-exposed pocket by about 180° (conformation 6, the inactive DFD-out conformation, left-hand structure). The hydrophobic pocket spine is shown in blue mesh. The arrows indicate the side views of the DFD motif.