Morning,

Can anyone suggest the correct method for introducing a non natural amino acid 
into a protein backbone? I am aware of the modelling, replace residue option 
but in this instance I am having no joy in creating a protein chain that can 
subsequently be real space refined etc.

The residue in question is a Trp with NE1 substituted for S
3-(1-benzothiophen-3-yl)-L-alanine

The issue is not that I am unable to introduce the change but I have not thus 
far ended up with a protein that is correctly bonded. Changing residue numbers 
and chain labels does allow for peptide bond formation but it does not look 
quite right and any subsequent refinement in COOT blows the chain apart.

I am working with COOT 0.9-pre but also have access to 0.8.9.

Many thanks for any pointers,

Colin





[cid:[email protected]]

Dr. Colin W. Levy
MIB G016
Tel.  0161 275 5090
Mob.07786 197 554
[email protected]<mailto:[email protected]>



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