1sbu

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[[Image:1sbu.gif|left|200px]]
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{{Structure
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|LIGAND= <scene name='pdbligand=2MT:(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC+ACID'>2MT</scene>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1sbu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sbu OCA], [http://www.ebi.ac.uk/pdbsum/1sbu PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1sbu RCSB]</span>
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'''NMR structure of a peptide containing a dimetylthiazolidine : an analog of delta conotoxin EVIA loop 2'''
'''NMR structure of a peptide containing a dimetylthiazolidine : an analog of delta conotoxin EVIA loop 2'''
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[[Category: Figuet, M.]]
[[Category: Figuet, M.]]
[[Category: Jourdan, M.]]
[[Category: Jourdan, M.]]
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[[Category: cis leu-(dmt)thiazolidine amide bond]]
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[[Category: Dimethyl-thiazolidine]]
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[[Category: dimethyl-thiazolidine]]
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[[Category: Molecular dynamics simulation]]
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[[Category: molecular dynamics simulation]]
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[[Category: Nmr spectroscopy]]
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[[Category: nmr spectroscopy]]
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[[Category: Vi beta turn]]
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[[Category: vi beta turn]]
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Revision as of 05:31, 3 May 2008

Template:STRUCTURE 1sbu

NMR structure of a peptide containing a dimetylthiazolidine : an analog of delta conotoxin EVIA loop 2


Overview

The delta-conotoxin EVIA from the Conus ermineus venom, a recently characterized toxin, exhibits cis-trans isomerism of the Leu12-Pro13 bond associated with the triggering of its biological activity. In this paper we use the pseudoproline concept to target the presumed bioactive cis conformation. We report the design and the synthesis of loop 2 analogs from residue 8 to 18 containing either the cis-inducing Cys(PsiMe,MePro)13 unit or the natural proline residue. NMR studies in water and molecular modeling allowed us to identify the amide bond "locked" in a cis conformation for as in the suggested bioactive form of the natural toxin.

About this Structure

Full crystallographic information is available from OCA.

Reference

A case study of 2,2-dimethylthiazolidine as locked cis proline amide bond: synthesis, NMR and molecular modeling studies of a delta-conotoxin EVIA peptide analog., Chierici S, Jourdan M, Figuet M, Dumy P, Org Biomol Chem. 2004 Sep 7;2(17):2437-41. Epub 2004 Aug 5. PMID:15326523 Page seeded by OCA on Sat May 3 08:31:26 2008

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