Subject: Polysaccharide Coordinate Database

From: "William T. Winter" <[email-masked]>
Date: Wed, 12 Apr 1995 00:51:48 -0400 (EDT)

I have seen several postings for coordinates of diffraction based 
polysaccharide structures.  A few such entries do exist in the pdb ( 
Protein Data Base).  These include chondroitin sulfates, iota carrageenan,
some hyaluronates, and a capsular polysaccharide from a strain of E. coli.
All of these were submitted by the Arnott group during the late 1970's.

I was a member of that group then and continue to be active in such 
studies as does my colleague and department head Anatole Sarko.  If you 
would like to see a separate polysaccharide date base developed, send me 
a short note of support by email, FAX or regular mail.
If you have preferences as to form - pdb format or extension thereof, 
Cartesian or fractional unit cell etc - let me know about those preferences

I am coming into a period where I will have the time to seek support for 
and initiate development of such a data base but I am certain that no 
support will be forthcoming unless I can demonstrate a potential 
community of users.

Finally, if such a data base were extended to include other linear or 
regularly branched polymers both naturally occurring and synthetic would 
that heighten the interest?  I think that the nucleic acid people may 
already have such a data base but I do not believe  that the synthetic 
polymer people have gotten to this stage yet.

=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
Dr. William T. Winter                  Phone: (315)470-6876
315 Baker Lab                          FAX:   (315)470-6856
SUNY-ESF                               Internet: [email-masked]
Syracuse, NY 13210-2786

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From: <[email-masked]>
Date: Wed, 12 Apr 95 09:17:05 -0400

Dr. Winter,

    I support your efforts to compile a database of polysaccharide
structural data.  This database should include both linear and
branched systems.  My interests include the parameterization of
biological systems for empirical force field calculations.  The
availability of structural data on polysaccharides will enhance our
ability to accurately parameterize carbohydrates.

Sincerely,

Alex MacKerell, [email-masked]
School of Pharmacy
University of Maryland at Baltimore
20 North Pine Street
Baltimore, MD  21201
410-706-7442