1446: Y1 Receptor Ligand Docking
|Name:||1446: Y1 Receptor Ligand Docking|
|Expired:||11/08/2017 - 23:00|
|Description:||This is a follow-on puzzle of Puzzle 1441: Y1 Receptor Homology Modeling. In the previous puzzle, we asked you to model the structure of the human Y1 neuropeptide receptor. In this puzzle, we'd like you to determine how a known binder of Y1 interacts with that model.
We're starting you off with the top scoring structure from puzzle 1441, made by reefyrob and LociOiling. We've placed BIBP-3226 into the homology model, in the approximate location of the binding pocket between the transmembrane helicies. BIBP-3226 is a potent antagonist for Y1, and is speculated to bind in this general location. For this puzzle, we'd like you to find the best location and best interactions of BIBP-3226 to Y1.
As proteins sometimes rearrange slightly around a small molecule, we've allowed for some flexibility in the protein, but as we'd like for you to focus on how the ligand binds, you'll get a penalty if the protein moves too far from the starting model.
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