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Figure 3.
FIGURE 3. Ligand-binding sites. Electron density maps
around ZD6474 (A) and PP1 (B) show REFMAC-calculated electron
density maps with 2mF[o] - DF[c] contoured at 1  in green
and mF[o] - DF[c] contoured at 3 in blue and (in A)
contoured at 8 in red. C and D are
Ligplot (79) schematic diagrams of ZD6474 and PP1 contacts with
RET. Water molecules (W) are shown in cyan. E-G show molecular
surfaces of the ligand-binding pockets in RET-KD-P, with the
solvent side of the surface white and the inside of the surface
blue-green. Ligands are shown in stick form, with carbon atoms
magenta for ZD6474 (E), green for AMP (F), and brown for PP1
(G). The Val^804 side chain is highlighted in yellow. The pocket
with access that is controlled by Val^804 is in the center of
each diagram; a second apparent pocket (^*) in E and G is the
result of the Phe^735 side chain being disordered in these two
complexes.
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