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2011: Cortisol Ligand Binder Design
Status: Closed
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Summary
| Name: | 2011: Cortisol Ligand Binder Design |
|---|---|
| Status: | Closed |
| Created: | 06/25/2021 |
| Points: | 100 |
| Expired: | 07/02/2021 - 23:00 |
| Difficulty: | Intermediate |
| Description: | Design a binding pocket for the cortisol ligand! Cortisol is a natural signaling molecule that the body uses to regulate metabolism and inflammation. Commonly known as a "stress hormone," cortisol levels tend to increase under conditions of chronic stress. We'd like to design a cortisol binder that could be used to detect the hormone or sequester it from the blood stream. Cortisol is mostly hydrophobic, but has several polar atoms that need to be satisfied by H-bonds in the binding pocket!
In this puzzle, players are challenged to design a binding pocket for cortisol. We've provided a generic NTF2-type backbone as the starting structure, with the cortisol ligand placed roughly in the correct position in the binding pocket. However, players may completely redesign the protein or reposition the ligand within the binding pocket. Try to design a binding pocket with high Contact Surface and zero BUNS! See the puzzle comments for Objective details. |
| Categories: | Design, Overall |
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Contact Surface Metric (max +2000)
Measures how much of your binder surface is in close contact with the target protein. The goal Contact Surface is 200 or more.
Buried Unsats (max +500)
Penalizes 100 points for each polar atom that cannot make any hydrogen bonds.