1d7t
From Proteopedia
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'''NMR STRUCTURE OF AN ENGINEERED CONTRYPHAN CYCLIC PEPTIDE (MOTIF CPXXPXC)''' | '''NMR STRUCTURE OF AN ENGINEERED CONTRYPHAN CYCLIC PEPTIDE (MOTIF CPXXPXC)''' | ||
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==About this Structure== | ==About this Structure== | ||
| - | + | Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D7T OCA]. | |
==Reference== | ==Reference== | ||
The cyclic contryphan motif CPxXPXC, a robust scaffold potentially useful as an omega-conotoxin mimic., Pallaghy PK, Norton RS, Biopolymers. 2000 Sep;54(3):173-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10861378 10861378] | The cyclic contryphan motif CPxXPXC, a robust scaffold potentially useful as an omega-conotoxin mimic., Pallaghy PK, Norton RS, Biopolymers. 2000 Sep;54(3):173-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10861378 10861378] | ||
| - | [[Category: Protein complex]] | ||
[[Category: Norton, R S.]] | [[Category: Norton, R S.]] | ||
[[Category: Pallaghy, P K.]] | [[Category: Pallaghy, P K.]] | ||
| - | [[Category: | + | [[Category: Beta turn]] |
| - | [[Category: | + | [[Category: Cis proline]] |
| - | [[Category: | + | [[Category: D-handed]] |
| - | [[Category: | + | [[Category: Disulfide bond]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 13:32:45 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 10:32, 2 May 2008
NMR STRUCTURE OF AN ENGINEERED CONTRYPHAN CYCLIC PEPTIDE (MOTIF CPXXPXC)
Overview
Contryphan-R, from venom of the cone-shell Conus radiatus, represents a novel cyclic peptide scaffold onto which residues may be grafted to mimic unrelated protein surfaces. Three substitutions were made at the x and X positions of the disulfide-bridged motif CPxXPXC, where X and x represent any L- and D-handed residues, respectively, P represents proline or hydroxyproline, and C a half-cystine. These substitutions were designed to mimic part of the pharmacophore of the unrelated globular polypeptide omega-conotoxin GVIA, which blocks N-type calcium channels. The structure of this engineered contryphan, YNK-contryphan-R ([D-Tyr4, Asn5, Lys7]contryphan-R), is shown to be similar to that of native contryphan-R (Pallaghy et al., Biochemistry, 1999, Vol. 38, pp. 13553-13559), confirming that the scaffold is robust with respect to the multiple substitutions. In particular, the alpha-beta bond vectors characterising the orientation of the side chains relative to the backbone are similar in contryphan-R, YNK-contryphan-R, and omega-conotoxin GVIA, which is the required result for a scaffold-based approach to molecular design. The solution structure of YNK-contryphan-R has an N-terminal, nonhydrogen-bonded, chain reversal centered on Hyp3-D-Trp4, and a C-terminal type I beta-turn. A minor form due to cis-trans isomerism of the Hyp2-Cys3 peptide bond is present in YNK-contryphan-R in a larger proportion than in contryphan-R. It is evident, particularly from the (3)J(HalphaHN) coupling constants, that YNK-contryphan-R is more flexible than contryphan-R, probably due to the absence in YNK-contryphan-R of the Pro-Trp packing present in the native molecule. Nevertheless, the structure confirms that cyclic peptide molecular designs can achieve the intended conformations.
About this Structure
Full crystallographic information is available from OCA.
Reference
The cyclic contryphan motif CPxXPXC, a robust scaffold potentially useful as an omega-conotoxin mimic., Pallaghy PK, Norton RS, Biopolymers. 2000 Sep;54(3):173-9. PMID:10861378 Page seeded by OCA on Fri May 2 13:32:45 2008
