On 20/12/2019 16:35, Colin Levy wrote:
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
4OG doesn't have standard amino acid backbone atom names, hence "Replace
residue" won't work.
It seems to me that you want to do 2 ligand to protein links, one for the N -> CO and the other for the CO
-> N link. Unfortunately, how to do this is not clear at the moment. You can either do it in Coot with "Make
an Acedrg Link" in the CCP4 module - or there is a method for the same in CCP4i2 7.1 (not yet released). You
will need to do both ends, as I said.
I am aware that the documentation could be clearer and it's on the list to fix.
Paul.
########################################################################
To unsubscribe from the COOT list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
