The first step would be to verify consistent, convincing electron density for the proposed thioketal adduct. A good way to start might be an "omit" map of the region by mutating the Cys residues to Ala, truncating them to the beta-carbon. The resulting difference density may be suggestive of a thioketal adduct or a simple disulfide bridge. Building the thioketal, if actually present, will require addition skill with ligand building and Coot. You are essentially attaching an isopropyl group to the two Cys sulfur atoms.
Roger Rowlett Gordon & Dorothy Kline Professor, Emeritus Dept. Of Chemisty Colgate University On Tue, Jun 30, 2020, 5:58 AM Daniele Veggi <veggidani...@gmail.com> 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 > To better understand what I mean in attach you find a screenshot > > I thank in advance all those who will have the courtesy to make a > suggestion > > Daniele Veggi > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
