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1100: Vancomycin Binder Design: Hydrogen Bond Network
Status: Closed

Summary

Name: 1100: Vancomycin Binder Design: Hydrogen Bond Network
Status: Closed
Created: 06/12/2015
Points: 100
Expired: 06/19/2015 - 23:00
Difficulty: Intermediate
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.
Categories: Design, Overall

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Comments

bkoep's picture
User offline. Last seen 17 hours 37 min ago. Offline
Joined: 11/15/2012
Groups: None
Filters

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

LociOiling's picture
User offline. Last seen 6 hours 16 min ago. Offline
Joined: 12/27/2012
Groups: Beta Folders
segment 1 can't be selected, and other quirks

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's picture
User offline. Last seen 6 hours 16 min ago. Offline
Joined: 12/27/2012
Groups: Beta Folders
segment 1 is locked

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.

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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, RosettaCommons