1soc - Revision history

OCA at 08:05, 15 November 2023

OCA — Wed, 15 Nov 2023 08:05:45 GMT

←Older revision		Revision as of 08:05, 15 November 2023
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	==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==		==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==
-	<StructureSection load='1soc' size='340' side='right'caption='[[1soc~~]], [[NMR_Ensembles_of_Models \| 1 NMR models~~]]' scene=''>	+	<StructureSection load='1soc' size='340' side='right'caption='[[1soc]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SOC FirstGlance]. <br>		<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SOC FirstGlance]. <br>
-	</td></tr><tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene~~></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height~~: ~~3em;~~'>~~[[2soc\|2soc]]~~</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [https://pdbe.org/1soc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [https://www.ebi.ac.uk/pdbsum/1soc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1soc ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [https://pdbe.org/1soc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [https://www.ebi.ac.uk/pdbsum/1soc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1soc ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Goodman, M]]	+	[[Category: Goodman M]]
-	[[Category: Melacini, G]]	+	[[Category: Melacini G]]
-	[[Category: Zhu, Q]]	+	[[Category: Zhu Q]]
-	~~[[Category: Octreotide]]~~	+
-	~~[[Category: Sandostatin~~]]	+

OCA at 07:34, 22 September 2021

OCA — Wed, 22 Sep 2021 07:34:52 GMT

←Older revision		Revision as of 07:34, 22 September 2021
Line 3:		Line 3:
	<StructureSection load='1soc' size='340' side='right'caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>		<StructureSection load='1soc' size='340' side='right'caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1SOC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SOC FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2soc\|2soc]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2soc\|2soc]]</div></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [~~http~~://pdbe.org/1soc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1soc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1soc ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [https://pdbe.org/1soc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [https://www.ebi.ac.uk/pdbsum/1soc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1soc ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 13:48, 18 December 2019

OCA — Wed, 18 Dec 2019 13:48:58 GMT

←Older revision		Revision as of 13:48, 18 December 2019
Line 1:		Line 1:

	==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==		==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==
-	<StructureSection load='1soc' size='340' side='right' caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>	+	<StructureSection load='1soc' size='340' side='right'caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1SOC FirstGlance]. <br>		<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1SOC FirstGlance]. <br>
Line 21:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Goodman, M]]		[[Category: Goodman, M]]
	[[Category: Melacini, G]]		[[Category: Melacini, G]]

OCA at 07:34, 14 March 2018

OCA — Wed, 14 Mar 2018 07:34:30 GMT

←Older revision		Revision as of 07:34, 14 March 2018
Line 1:		Line 1:
		+
	==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==		==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==
	<StructureSection load='1soc' size='340' side='right' caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>		<StructureSection load='1soc' size='340' side='right' caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2soc\|2soc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2soc\|2soc]]</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [http://pdbe.org/1soc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [http://www.ebi.ac.uk/pdbsum/1soc PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [http://pdbe.org/1soc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [http://www.ebi.ac.uk/pdbsum/1soc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1soc ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 20:47, 10 September 2015

OCA — Thu, 10 Sep 2015 20:47:46 GMT

←Older revision		Revision as of 20:47, 10 September 2015
Line 5:		Line 5:
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2soc\|2soc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2soc\|2soc]]</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [http://www.ebi.ac.uk/pdbsum/1soc PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [http://pdbe.org/1soc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [http://www.ebi.ac.uk/pdbsum/1soc PDBsum]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 15:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 1soc" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 16:19, 15 January 2015

OCA — Thu, 15 Jan 2015 16:19:36 GMT

←Older revision		Revision as of 16:19, 15 January 2015
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Goodman, M.]]	+	[[Category: Goodman, M]]
-	[[Category: Melacini, G.]]	+	[[Category: Melacini, G]]
-	[[Category: Zhu, Q.]]	+	[[Category: Zhu, Q]]
	[[Category: Octreotide]]		[[Category: Octreotide]]
	[[Category: Sandostatin]]		[[Category: Sandostatin]]

OCA at 08:24, 8 October 2014

OCA — Wed, 08 Oct 2014 08:24:42 GMT

←Older revision		Revision as of 08:24, 8 October 2014
Line 1:		Line 1:
-	[[~~Image:~~1soc.~~png~~\|~~left~~\|~~200px~~]]	+	==NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE==
		+	<StructureSection load='1soc' size='340' side='right' caption='[[1soc]], [[NMR_Ensembles_of_Models \| 1 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1SOC FirstGlance]. <br>
		+	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=THO:REDUCED+THREONINE'>THO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2soc\|2soc]]</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1soc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1soc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1soc RCSB], [http://www.ebi.ac.uk/pdbsum/1soc PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	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.

-	~~{{STRUCTURE_1soc\| PDB=1soc \| SCENE= }}~~	+	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<ref>PMID:9063871</ref>

-	~~===NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN~~, ~~MINIMIZED AVERAGE BETA-SHEET STRUCTURE===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_9063871}}~~	+	== References ==
-		+	<references/>
-	==~~About this Structure~~==	+	__TOC__
-	~~[[1soc]] is a 1 chain structure. Full experimental information is available from [http:~~//~~oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA].~~	+	</StructureSection>
	[[Category: Goodman, M.]]		[[Category: Goodman, M.]]
	[[Category: Melacini, G.]]		[[Category: Melacini, G.]]

OCA: Protected "1soc" [edit=sysop:move=sysop]

OCA — Fri, 04 Jan 2013 10:10:51 GMT

Protected "1soc" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:10, 4 January 2013

OCA at 10:10, 4 January 2013

OCA — Fri, 04 Jan 2013 10:10:48 GMT

←Older revision		Revision as of 10:10, 4 January 2013
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-	{{Seed}}
	[[Image:1soc.png\|left\|200px]]		[[Image:1soc.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1soc", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_1soc\| PDB=1soc \| SCENE= }}		{{STRUCTURE_1soc\| PDB=1soc \| SCENE= }}

	===NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE===		===NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_9063871}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 9063871 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_9063871}}		{{ABSTRACT_PUBMED_9063871}}

	==About this Structure==		==About this Structure==
-	Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA].	+	[[1soc]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC 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:[http://www.ncbi.nlm.nih.gov/pubmed/9063871 9063871]	+
	[[Category: Goodman, M.]]		[[Category: Goodman, M.]]
	[[Category: Melacini, G.]]		[[Category: Melacini, G.]]
Line 29:		Line 14:
	[[Category: Octreotide]]		[[Category: Octreotide]]
	[[Category: Sandostatin]]		[[Category: Sandostatin]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 12:06:46 2008''

OCA at 09:06, 28 July 2008

OCA — Mon, 28 Jul 2008 09:06:52 GMT

←Older revision		Revision as of 09:06, 28 July 2008
Line 1:		Line 1:
-	[[Image:1soc.~~gif~~\|left\|200px]]	+	{{Seed}}
		+	[[Image:1soc.png\|left\|200px]]

	<!--		<!--
Line 9:		Line 10:
	{{STRUCTURE_1soc\| PDB=1soc \| SCENE= }}		{{STRUCTURE_1soc\| PDB=1soc \| SCENE= }}

-	~~'''~~NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE~~'''~~	+	===NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE===


-	~~==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.	+	The line below this paragraph, {{ABSTRACT_PUBMED_9063871}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 9063871 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_9063871}}

	==About this Structure==		==About this Structure==
-	Full ~~crystallographic~~ information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA].	+	Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SOC OCA].

	==Reference==		==Reference==
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	[[Category: Octreotide]]		[[Category: Octreotide]]
	[[Category: Sandostatin]]		[[Category: Sandostatin]]
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sat May 3 08~~:56:53 2008''	+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 12:06:46 2008''