On 30/06/2020 10:51, Daniele Veggi wrote:
Dear CCP4bb,
I'm trying to insert an Acetone molecule between two cysteine residues
in coot or modifying the pdb. I'm working on this modified molecule
where the disulfide bridge was chemichally opened and inserted an
acetone molecule between the two cysteine.
MS data confirm this modification (98% of molecules modified) but I
can not insert the acetone covalently linked to the S of both cysteine
(S-ACN-S).
Maybe what I think and what I am doing is not the right solution (the
disulfide bridge is still alive?) anyway i would like to know how to
link the acetone to the two cysteine
Here's how to make a link between a ligand and the protein using Coot
and Acedrg:
https://pemsley.github.io/coot/blog/2020/06/30/make-a-link.html
Making a link from a ligand to two protein residues is tricky (I
wouldn't know how to do it off the top of my head).
Paul.
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