[ccp4bb]: di-citrate complex

[Jack Tanner <tannerjj@missouri.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

See also this ref:

Flocco MM
Mowbray SL.
"Strange bedfellows: interactions between acidic side-chains in proteins"
J Mol Biol. 1995 Nov 17;254(1):96-105.



>Date: Tue, 02 Oct 2001 09:43:27 +0200
>From: anke <anke@xray.bmc.uu.se>
>Reply-To: anke@xray.bmc.uu.se
>X-Accept-Language: en,nl,pdf
>To: Deena Oren <oren@cabm.rutgers.edu>
>CC: ccp4bb@dl.ac.uk
>Subject: Re: [ccp4bb]: di-citrate complex
>Sender: owner-ccp4bb@dl.ac.uk
>
>***  For details on how to be removed from this list visit the  ***
>***          CCP4 home page http://www.ccp4.ac.uk         ***
>
>Carboxyl-carboxylate interactions are more common than you might think,
>check this paper: Sawyer & James, Carboxyl-carboxylate interactions in
>proteins. Nature 295, 79-80 *1982).
>
>Deena Oren wrote:
>  >
>  > ***  For details on how to be removed from this list visit the  ***
>  > ***          CCP4 home page http://www.ccp4.ac.uk         ***
>  >
>  > Hi all,
>  >
>  > I have a structure that has two citrate molecules strongly associated to
>  > each other through their C6 carboxylate groups.
>  > Has anyone had this type of inter-carboxylate interaction?
>  > How do I describe this tight association so that X-plor will not have them
>  > repel each other? Will it be sufficient to explicitely protonate the
>  > acidic groups?
>  >
>  > Thanks
>  >
>  > Deena Oren, PhD                                  732-235-4498
>  > Center for Advanced Biotechnology and Medicine
>  > Rutgers University
>  > 679 Hoes ln                                 fax: 732-235-5669
>  > Piscataway, NJ 08854                    oren@cabm.rutgers.edu
>
>--
>-----------------------------------------------------------------------
>Anke Terwisscha van Scheltinga          SLU, Dept. of Molecular Biology
>e-mail: anke@xray.bmc.uu.se             Box 590
>tel.  : +(46) 18 4714613                S-751 24 Uppsala
>fax   : +(46) 18 511755                 Sweden
>-----------------------------------------------------------------------

-------------------------------------------------------------------------------
Dr. John J. Tanner
Department of Chemistry
University of Missouri - Columbia
125 Chemistry Building
Columbia, MO 65211
USA

office: 573-884-1280
lab:    573-884-1281
fax:    573-882-2754
tannerjj@missouri.edu
http://www.chem.missouri.edu/TannerGroup/tanner.html
-------------------------------------------------------------------------------