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2103b: Olivetolic Acid Ligand Binder Design: Round 5
Status: Closed

Summary

Name: 2103b: Olivetolic Acid Ligand Binder Design: Round 5
Status: Closed
Created: 02/03/2022
Points: 100
Expired: 02/09/2022 - 23:00
Difficulty: Intermediate
Description: Note: This puzzle replaces Puzzle 2103, which was missing the Neural Net Objective. Players may load in solutions from the original Puzzle 2103.

Design a binding pocket for the olivetolic acid ligand! This puzzle enables AlphaFold predictions for your binder design, so you can upload your solution for AlphaFold using the AlphaFold prediction tool. AlphaFold will predict the structure of your binder only (i.e. in the absence of the ligand). If you load this prediction, then Foldit will attempt to align the prediction with your solution. If you continue working off of the AlphaFold prediction, you may need to make adjustments in the binding pocket where the ligand makes contact with your binder design.

Olivetolic acid is a precursor to tetrahydrocannabinol (THC), the main psychoactive compound produced by cannabis. Scientists are interested in developing more efficient methods for THC synthesis, and a binder for this precursor could help to regulate or troubleshoot synthesis pathways. Olivetolic acid has a long hydrophobic tail that will naturally prefer to be buried in the binding pocket. But the ligand also has several polar atoms that need to be satisfied by H-bonds for successful binding!

In this puzzle, players are challenged to design a binding pocket for olivetolic acid. We've provided a generic NTF2-type backbone as the starting structure, with the 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

Top Groups

RankGroupScorePoints
1Contenders15,568100
2Beta Folders15,45071
3Go Science15,30049
4Anthropic Dreams15,28133
5Marvin's bunch14,85822

Top Evolvers

Top Soloists

RankPlayerGroupScorePoints
1LociOiling 2 1 Beta Folders15,449100
2dcrwheeler 46 4  15,31496
3Galaxie 1 2 Anthropic Dreams15,27491
4WBarme1234 46 23  15,25586
5ichwilldiesennamen 24 14 Go Science15,19482


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Comments

bkoep's picture
User is online Online
Joined: 11/15/2012
Groups: Foldit Staff
Objectives

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.

Neural Net (max +0)
Achieve an AlphaFold prediction confidence of 80% or more.

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, Boehringer Ingelheim, RosettaCommons