Puzzle 1664: Integrin Antagonist Binder Design: Round 2
Scoring discrepancy: Bruno Kestemont submitted a screenshot showing his 8168 solo giving Go Science the top slot. The Foldit website shows LociOiling's 8166 evo as the high score, giving the win to Beta Folders. Bruno's initial screenshot showed his solo at 8159, giving him the top solo, but the Foldit website put retiredmichael's 8156 solo in that spot.
This series of puzzles designs an antagonist of integrin alpha-v/beta-3. Most of the biologically relevant information is in the first puzzle: https://fold.it/portal/node/2007672.
The core RGD motif vtprgdwne is locked in all three puzzles. PDB 4MMZ (fibronectin; paper) is an example of a semi-natural antagonist with the motif. Some manganese ions are found in the structure; they prefer to interact with H-bond acceptors.
