It might be helpful to zoom out and put proteins (or any other modelled parts). Interactions might give you some idea what might be there.
Regards Garib > On 12 May 2025, at 10:48, Eleanor Dodson > <0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > > CAUTION: This email originated from outside of the LMB: > .-owner-ccp...@jiscmail.ac.uk <mailto:owner-ccp...@jiscmail.ac.uk>-. > Do not click links or open attachments unless you recognize the sender and > know the content is safe. > If you think this is a phishing email, please forward it to > phish...@mrc-lmb.cam.ac.uk <mailto:phish...@mrc-lmb.cam.ac.uk> > > -- > > You have crystallised a flying horse! > Eleanor > PS - but no useful hints - sorry > > On Mon, 12 May 2025 at 09:48, ILKIN YAPICI > <00010f6379c03791-dmarc-requ...@jiscmail.ac.uk > <mailto:00010f6379c03791-dmarc-requ...@jiscmail.ac.uk>> wrote: >> Dear all, >> >> I have an unidentified ligand at the active site of the protein, whose >> structure I have determined at a synchrotron. The natural substrate of the >> protein is not known, and the crystallization conditions only contain >> ammonium sulfate and tris, and the storage buffer has tris, NaCl, and >> glycerol. I am attaching the screenshot of the unidentified ligand. I have >> purified the recombinant protein from E. coli. Is there a tool, program, >> plug-in that I can use to find out which ligand this is? >> >> Thank you in advance, >> >> >> <1000162250.png> >> >> >> 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 > ######################################################################## 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/
