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Figure 4.
Fig. 4. Structures of RXR  LBD in complex with
partial agonists. (A) Overall structure of RXR LBD in
complex with 2a, 2b, or 2c. The ligand is represented by red
(oxygen atoms) and yellow (carbon atoms) van der Waals spheres.
Helices and  -strands are numbered
from N to C terminus. Together, helices H3, H4, and H12 define
the activation function 2 (AF-2) surface to which the TIF2 NR2
peptide is bound. (B) 2F[o]–F[c] density (1  ) for
the LBP of RXR bound to 2b. W
indicates a water molecule. (C) Closeup view showing the
hydrogen bond network that stabilizes a water molecule in close
proximity of L436. An identical hydrogen bond network is
observed in the complex with 2a (not shown). (D) Superposition
of the RXR LBP with 2b and 2c. (E) Comparison with the structure
of RXR LBD bound to SR11237
(Protein Data Bank ID code 1MVC). To accommodate the particular
features of 2a–c, L436 must adopt a conformation that differs
from that found in the presence of the agonist. The dashed line
between L436 and L455 indicates a short distance.
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