As also suggested by Dr. Roger you should first see the density then the next step of molecule addition is suggested. Omit is also a good idea for further confirmation.
On Tue, Jun 30, 2020 at 4:55 PM Daniele Veggi <[email protected]> wrote: > Hi Yadav, > yes, this is only a representation of what I would like to do. If during > the refinement will continue to appear density, probably I'm on the good > track......but currently my big issue is inserting the ACN > covalently linked to both cys. > > many thanks > > Daniele Veggi > GSK Vaccines Siena Italy > > > > > > Il giorno mar 30 giu 2020 alle ore 12:52 Lumbini Yadav < > [email protected]> ha scritto: > >> Hi Daniele, >> Do you see Fo-Fc density near disuphide bond where you are trying to fit >> acetone? >> >> On Tue, Jun 30, 2020 at 3:28 PM Daniele Veggi <[email protected]> >> 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/
