Figure 4 - full size

 

Figure 4.
Figure 4 Expanded `curled' flap conformation in the 2.3 Å structure of apo 6× HIV PR: view of the flaps, 80s loop and active site of the unliganded 6× HIV PR showing the expanded `curled' configuration of the flaps. As in the `curled' conformation of wild-type HIV PR, the flaps of 6× HIV PR adopt the `top-to-top' orientation, but are 5 Å farther apart and lack stabilizing interactions. The flap residues Gly48 and Gly49 are disordered, along with the side chain of Ile50. The further expansion shifts the flaps toward the 80s loop, allowing a packing contact between Ile50 and Pro81 in the same subunit. The active site is devoid of ordered water molecules or metal ions.

The above figure is reprinted by permission from the IUCr: Acta Crystallogr D Biol Crystallogr (2007, 63, 866-875) copyright 2007.