Hi Nick, Have you checked the web services provided by Marjorie Harding? http://tanna.bch.ed.ac.uk/index.html http://eduliss.bch.ed.ac.uk/MESPEUS/
Maybe, you can also find information about water mediated contacts over there. The first web site gives also some links to other interesting web pages. Of course, higher resolution data or another crystal form would help... Best regards, christian Nicholas Keep wrote: > I have a 3.0 A structure which has a Mg liganded by a His NE and a > substrate carboxylate at around 2.1 -2.3 A. > There are a number of other potential liganding amino acid atoms at > between 3.2 and 4.5 A. This is clearly > longer than the direct bonding distances found by Harding > http://journals.iucr.org/d/issues/1999/08/00/ad0073/index.html > but these could conceively be coordinating via a water not visible at > this resolution. > I wondered if anyone knew of a tabulation of amino-acid to ion via water > distances (ie second coordination sphere distances). I have not been > able to google one so far. > Thanks > nick > > _______________________________________________________________________ Dr. Christian Biertümpfel Laboratory of Molecular Biology NIDDK/National Institutes of Health phone: +1 301 402 4647 9000 Rockville Pike, Bldg. 5, Rm. B1-03 fax: +1 301 496 0201 Bethesda, MD 20892-0580 USA _______________________________________________________________________
