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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.
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