Modelos de color

the interactions they make with 17β-estradiol (cyan, yellow, respectively). The view is

the same as that in Figure 3A.

Figure 4. Analysis of the potential interactions between PXR and other endogenous

ligands (as well as dexamethasone) predicted by the PXR-estradiol complex reported here. A schematic view of the proximity of key side chains adjacent to estradiol is shown at top (S247, R410, S208), along with several residues near the 17-OH moiety. Known PXR agonists with 3-keto, 3-β-acetate, 3-β-hydroxy, and 3-α-hydroxy groups are all

predicted to form favorable interactions with S247; as shown, further favorable interactions may be formed with additional PXR residues, including H407, R413, D205, and K204.

Figure 5. Superpositions of the PXR-Estradiol structure on that of the GR-

Dexamethasone (DEX) complex (top), the LXR-25-epoxycholesterol (eChol) complex

(middle), and the CAR-5β-pregnane-3,20-dione (pregnane) complex (bottom). The view

is the same as that shown in Figure 4, and focusing on the ligand-binding pockets of the receptors.

Figure 4.

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