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1100: Vancomycin Binder Design: Hydrogen Bond Network

Closed since over 10 years ago

Intermediate Overall Design

Summary

Created
June 12, 2015
Expires
Max points
100
Description

This is another filter featuring the Hydrogen Bond Network filter. Instead of two protein chains, the puzzle includes a protein and a ligand, similar to Puzzle 1076. Redesign the binding pocket of the ligand to include a hydrogen bond network! This puzzle has four different starting structures, all with slightly different residues at the binding site; resetting the puzzle will cycle through the different models. See puzzle comments for filter details.

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Comments

bkoep Staff Lv 1

HBond Network: Create a hydrogen bond network with at least six bonds. Four hydrogen bonds must span the ligand-protein interface.

LociOiling Lv 1

Segment 1 can't be selected by any means in this puzzle, such as "selection.Select ( 1 )". This is probably bad news for recipes which work on selected segments, since segment 1 seems to start with a negative score.

Segment 211 is a real ligand in this puzzle, but it's possible to turn segment 210 into a fake ligand using the auto structures tool. It's just a little more difficult in this puzzle, since segment 211 must be deselected for the auto structures tool to appear.

See http://fold.it/portal/node/2000613#comment-30568 for a update on the bogus ligand issue.

LociOiling Lv 1

After posting the previous comment, I found that segment 1 is locked. This probably explains why it can't be selected. Another interesting point for recipe writers to contemplate.