Dear CCP4 Users,
I am working with data containing a possible complex of protein with
FESAN (iron bis(1,2-dicarbollide)). Unfortunately, to my knowledge, this
ligand is not available in PDB. The closest molecule is COSAN (cobalt
bis(1,2-dicarbollide)), which is labelled as CB5 and is available in two
PDB entries. I can load this molecule into Coot, but attempts at ligand
search or refinement of the manually matched molecule result in freezing
of the Coot window. FESAN is not present in CCDC as a single molecule,
but only in some complexes. Could you give me some advice on how to
prepare a new ligand like this one, for incorporation into the protein
and further refinement?
Best regards,
Rafal Dolot
--
|----------------------------------------------|
|Rafal Dolot, Ph.D. |
| |
|Polish Academy of Sciences |
|Centre of Molecular and Macromolecular Studies|
|Division of Bioorganic Chemistry |
|Macromolecular Crystallography Laboratory |
|Sienkiewicza 112 |
|90-363 Lodz, Poland |
|Phone: +48(42)6803325 |
|Cell: +48 502897781 |
|----------------------------------------------|
########################################################################
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/
