[phenixbb] refinement of partly occupied water molecules?
n.keep at mail.cryst.bbk.ac.uk
Fri May 31 09:11:49 PDT 2013
Could well be a cation-pi interaction. Have been reading up on Arg/Trp
interactions and sitting above the ring is a classic place for a cation.
The Cation-π Interaction DENNIS A. DOUGHERTY ACCOUNTS OF CHEMICAL
RESEARCH ’ 885–893 ’ 2013 ’ Vol. 46, No. 4
for up to date or I found Ma, J. C., and Dougherty, D. A. (1997) The
cation-pi interaction. Chemical Reviews 97, 1303-132
better from a structural biology point of view.
I would go with a metal ion or ammonium but as to which one I have no idea.
Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck, University of London,
email n.keep at mail.cryst.bbk.ac.uk
Telephone 020-7631-6852 (Room G54a Office)
020-7631-6800 (Department Office)
If you want to access me in person you have to come to the
and ring me or the department office from the internal phone by the door
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