small peptide models (summary)

 Dear all
 I got two answers to my question and many requests for the summary. Many thanx
 to Wayne Steinmetz and Randall B. Murphy for their replies.
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 Original Q:
 > I am looking for some examples of small polypeptide structures which can be
 > used for testing the efficiency of a program doing some semiempirical
 > calculations. With this regard, the experimentally resolved structures
 which
 > are not very large are the main intrest. Any other model which may be
 > interesting or any reference with this regard is highly appreciated.
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 From:    Wayne Steinmetz <WSTEINMETZ;at;POMONA.EDU>
 Date:    Mon Jul 27,  5:43pm -0700
 To:      E.Tajkhorshid;at;DKFZ-Heidelberg.de
 Cc:
 Subject: Re: CCL:small peptide models
 Check the recent work of Barbara Imperiali at Cal Tech.  Her group prepared
 a small tetra or hexapeptide which had a well defined beta turn in solution.
 The conformation was confirmed by NMR.  I can't give you the reference as
 the file was lost by a student.
 Another noteworthy paper appeared in the 10 July 1998 issue of Science.
 Vol 281, pp. 253-256.  Kortemme et al. designed and prepared a peptide
 with 20 amino acids.  The peptide has a well defined three-stranded
 beta=sheet.
 Steve Mayo designed and prepared a peptide with 28 amino acids that has the
 zinc-finger motif without zinc.  Science, vol. 278, pp. 82-87 (3 October 1997).
 For a review of small helical peptides, see Bryson et al., volume 270, pp.
 935-941, 10 Nov. 1995.
 You did not indicate how small is small.  Conotoxins are fairly small peptides
 whose well defined conformation and whose stability is due to the presence
 of 2 disulfide bridges.  This family of toxins has received a great deal of
 attention as small peptides often do not have a well defined structure.
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 From:    Randall B. Murphy Ph.D. <innova;at;westnet.com>
 Date:    Wed Jul 29, 10:18am -0400
 To:      E.Tajkhorshid;at;DKFZ-Heidelberg.de
 Cc:
 Subject: Re: CCL:small peptide models
 Enkephalin may be the best.  We have done it, so have lots of other
 people, and there are many experimental, NMR, and X-ray structures to
 commpare.  It would be nice if it was a little more rigid, but to us this
 is a good choice.
 There are several Scheraga papers using calculations to compare to various NMR
 structures. We have one in PNAS in I think 1985, so this goes back a ways.
 best regards
 Randall B. Murphy
 Associate Professor of Chemistry
 New York University
 randy.murphy;at;nyu.edu
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 --
 Emad
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 E. Tajkhorshid
 German Cancer Research Center; DKFZ             Tel: +49 6221 42 2340
 Dept. Molecular Biophysics (H0200)              FAX: +49 6221 42 2333
 P.O.Box 101949
 69009 Heidelberg, Germany     Email: E.Tajkhorshid;at;DKFZ-Heidelberg.de
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 * "Never express yourself more clearly than you think." -Niels Bohr *
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