Puzzle 1659b: Integrin Antagonist Binder Design
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.
G1 Hold My Beer E2 Aminal88 19250
S1 Galaxie 19198
S3 LociOiling 19160
S13 silent gene 18900
S13 silent gene 18787