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Figure 2 | BMC Structural Biology

Figure 2

From: In silico discovery of novel Retinoic Acid Receptor agonist structures

Figure 2

Docking of a known RAR-α specific agonist. The RAR-α selective agonist Am580 was docked into the modeled ligand binding pocket of RAR-α . A: The complexed ligand (white sticks) superimposes with the crystal structure of bound all-trans RA (green). Hydrogens are not shown for clarity. B: Am580 (CPK display) fits tightly into the receptor's pocket (yellow wire), but for a ketone oxygen, which shares an hydrogen with Ser234 of the receptor (displayed as stick). The receptor in the vicinity of the ligand is shown as a white ribbon. Carbons, hydrogens, oxygens and nitrogen are colored white, gray, red and blue respectively. (Image generated with Molsoft ICM)

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