Figure 2
Electron density and interactions of SGIFLETS bound in the active site of D25N HIV-1 protease. Protease residues from chain A are labeled in white, those from chain B in gray and those from SGIFLETS in black. A 2Fo − Fc map (contoured at 1σ) (a) and an Fo – Fc map after simulated-annealing refinement with the substrate excised (contoured at 3σ) (b) are depicted as a mesh around the substrate in the final structure. (c) Conformation A of SGIFLETS showing hydrogen bonds to HIV-1 protease residues (yellow, direct hydrogen bonds; magenta, water-mediated hydrogen bonds). |