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Chemically Modified Residues

Adding noncanonical amino acid (PCA) to Rosetta 3

Submitted by JuliusSu on Fri, 2014-08-01 11:23
Category: 
Chemically Modified Residues

Hi everyone, I'm in the process of trying to incorporate a non-canonical amino acid into Rosetta, namely pyroglutamic acid: (or 5-oxo-L-proline)

http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=PCA

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Rosetta 3 - General

Energy minimization of a crystal structure with residues mutated in pymol

Submitted by bharat_46010 on Wed, 2014-05-21 19:52
Category: 
Chemically Modified Residues

Hi,

I am working on a protein structure which contains a modified amino acid (lysine covalently bound to pyridoxal phosphate). I mutated some amino acids in the crystal structure using Pymol. Now, I want to perform energy minimization of the entire structure. But I get an error due to the modified lysine. What shall I do ??

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BHARAT

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Forums: 
Rosetta 3 - General

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