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Figure 5.
Figure 5. The Central Phe-43 Cavity between CD4 and
gp120Different portions of this figure all show the Phe-43
cavity from similar orientations.(a) Ca worm diagram of the YU2
core (green) binding to CD4 (yellow). The critical Phe-43 side
chain is seen reaching into the heart of gp120. The molecular
surface of the Phe-43 cavity at the gp120-CD4 interface is
colored blue.(b) Electron density of the Phe-43 cavity. The
2F[o]-F[c] electron density is depicted at 1.1 s contour (blue).
The 2.2 Å HXBc2 structure is shown in the left panel; the 2.9 Å
YU2 structure is shown in the right panel. The HXBc2 core is
colored red; the YU2 core, green; the CD4, yellow; and the water
molecules, cyan. An isopropanol is shown at the center of the
HXBc2 cavity. It is colored yellow for carbon atoms and red for
its hydroxyl atom. CD4 residues are labeled in yellow, and YU2
residues are labeled in green.(c) Stereoplot of the HXBc2 Phe-43
cavity. The isopropanol is colored red.
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