2soc
From Proteopedia
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| - | + | {{STRUCTURE_2soc| PDB=2soc | SCENE= }} | |
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'''NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES''' | '''NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES''' | ||
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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=2SOC OCA]. | |
==Reference== | ==Reference== | ||
Multiconformational NMR analysis of sandostatin (octreotide): equilibrium between beta-sheet and partially helical structures., Melacini G, Zhu Q, Goodman M, Biochemistry. 1997 Feb 11;36(6):1233-41. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9063871 9063871] | Multiconformational NMR analysis of sandostatin (octreotide): equilibrium between beta-sheet and partially helical structures., Melacini G, Zhu Q, Goodman M, Biochemistry. 1997 Feb 11;36(6):1233-41. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9063871 9063871] | ||
| - | [[Category: Protein complex]] | ||
[[Category: Goodman, M.]] | [[Category: Goodman, M.]] | ||
[[Category: Melacini, G.]] | [[Category: Melacini, G.]] | ||
[[Category: Zhu, Q.]] | [[Category: Zhu, Q.]] | ||
| - | [[Category: | + | [[Category: Octreotide]] |
| - | [[Category: | + | [[Category: Sandostatin]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 17:20:35 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 14:20, 4 May 2008
NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
Overview
This paper reports a detailed conformational analysis by 1H NMR (DMSO-d6, 300 K) and molecular modeling of the octapeptide D-Phe1-Cys2-Phe3-D-Trp4-Lys5-Thr6-Cys7+ ++-Thr8-ol (disulfide bridged) known as sandostatin (or SMS 201-995 or octreotide) with both somatostatin-like and opioid-like bioactivities. This is the initial report on sandostatin showing that attempts to explain all NMR data using a single average conformation reveal several important inconsistencies including severe violations of mutually exclusive backbone-to-backbone NOEs. The inconsistencies are solved by assuming an equilibrium between antiparallel beta-sheet structures and conformations in which the C-terminal residues form a 3(10) helix-like fold (helical ensemble). This conformational equilibrium is consistent with previous X-ray diffraction investigations which show that sandostatin can adopt both the beta-sheet and the 3(10) helix-like secondary structure folds. In addition, indications of a conformational equilibrium between beta-sheet and helical structures are also found in solvent systems different from DMSO-d6 and for other highly bioactive analogs of sandostatin. In these cases a proper multiconformational NMR refinement is important in order to avoid conformational averaging artifacts. Finally, using the known models for somatostatin-like and opioid-like bioactivities of sandostatin analogs, the present investigation shows the potentials of the proposed structures for the design of novel sandostatin-based conformationally restricted peptidomimetics. These analogs are expected to refine the pharmacophore models for sandostatin bioactivities.
About this Structure
Full crystallographic information is available from OCA.
Reference
Multiconformational NMR analysis of sandostatin (octreotide): equilibrium between beta-sheet and partially helical structures., Melacini G, Zhu Q, Goodman M, Biochemistry. 1997 Feb 11;36(6):1233-41. PMID:9063871 Page seeded by OCA on Sun May 4 17:20:35 2008
