It looks like the density suggests an S-S bond. Perhaps try CME? https://www.rcsb.org/ligand/CME
John J. Tanner Professor of Biochemistry and Chemistry Associate Chair of Biochemistry University of Missouri 117 Schweitzer Hall 503 S. College Ave. Columbia, MO 65211 Phone: 573-884-1280 Fax: 573-882-5635 Email: tanne...@missouri.edu<mailto:tanne...@missouri.edu> http://faculty.missouri.edu/~tannerjj/tannergroup/tanner.html Lab: Schlundt Annex rooms 3,6,9, 203B, 203C Office: Schlundt Annex 203A On Mar 27, 2020, at 3:32 PM, Cowan, Richard H. (Dr.) <rc...@leicester.ac.uk<mailto:rc...@leicester.ac.uk>> wrote: Hi All, During the current enforced shutdown, I've been going back over some older data and spotted this in one of my structures: <Outlook-qps5xcao.png> It's what appears to be a covalent aduct onto a cysteine on the surface (originally modeled as 2 waters!). The condition was optimized from the Morpheus Screen condition D1, so MES/Imidazole pH 6.5, PEG 500MME, PEG20k and a mix of 1,6-Hexanediol, 1-Butanol, 1,2-Propanediol, 2-Propanol, 1,4-Butanediol and 1,3-Propanediol. The data has been cut at 1.7A, with good stats. Has anyone seen anything like this before? what do you think my best bet for modeling this is? and aduct of 1,3-propanediol? It looks too short for 1-butanol or 1,4-butandiol, and it's linear so 2-propanol and 1,2-propanediol seem unlikely. Thanks, Dr Richard Cowan Research Associate HWLSB 1/05 Department of Biochemistry University of Leicester Lancaster Road Leicester, LE1 9HN, U.K. Phone +44 (0) 116 229 7077 ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
