Figure 4
DC645 (brick red; O atoms, red; N atoms, blue) incorporated into the binding site of CRABPII (ribbon representation, dark blue; O atoms, red; N atoms, blue). The key binding resides Arg112-Arg133-Tyr135 and a conserved water molecule (dark blue; O atoms, red; N atoms, blue) can be seen at the base of the hydrophobic pocket with predicted hydrogen bonding. NLS-forming residues (white; N atoms, blue) can be seen facing externally on the left. (b) Ligand density of DC645 in chain A in the ligand-binding site of CRABPII (2Fo − Fc map including ligand, contour σ = 2.00). |