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Correctly Formatting a PDB file for analysis of a Zinc Finger Motif

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Correctly Formatting a PDB file for analysis of a Zinc Finger Motif
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I have been trying to correctly format a zinc finger motif for docking in RosettaDock-3.2, but have apparently failed after many efforts.  I have attached the PDB file.  The zinc is located within Chain A and coordinated by residues within Chain A.

I found other posts to the forum, and tried to follow those directions without success.  I also found a few discussions (https://www.rosettacommons.org/docs/latest/rosetta_basics/non_protein_residues/Metals#how-can-i-confirm-that-rosetta-is-setting-the-atomic-connectivity-properlyhttps://www.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/Movers/movers_pages/SetupMetalsMover#setupmetalsmover), which lead me to try submitting the zinc finger to the Rosetta App in Rosie 2 to use the -in:auto_setup_metals function to covalently link the Zinc to the residues coordinating it, but the output PDB is identical to the input, so I must be doing something incorrectly.

 Any suggestions would be greatly appreciated,

Ryan

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1ZF1_SL3.pdb114.05 KB
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Thu, 2022-04-28 18:19
rslack