1n0c - Revision history

OCA at 18:52, 29 November 2023

OCA — Wed, 29 Nov 2023 18:52:04 GMT

←Older revision		Revision as of 18:52, 29 November 2023
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	==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==		==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==
-	<StructureSection load='1n0c' size='340' side='right'caption='[[1n0c~~]], [[NMR_Ensembles_of_Models \| 20 NMR models~~]]' scene=''>	+	<StructureSection load='1n0c' size='340' side='right'caption='[[1n0c]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1N0C FirstGlance]. <br>		<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1N0C FirstGlance]. <br>
-	</td></tr><tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</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;~~'>~~[[1n09\|1n09]]~~, ~~[[1n0d\|1n0d]]~~</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [https://pdbe.org/1n0c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [https://www.ebi.ac.uk/pdbsum/1n0c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1n0c 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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [https://pdbe.org/1n0c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [https://www.ebi.ac.uk/pdbsum/1n0c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1n0c ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Blandl, T]]	+	[[Category: Blandl T]]
-	[[Category: Cochran~~, A G~~]]	+	[[Category: Cochran AG]]
-	[[Category: Russel~~, S J~~]]	+	[[Category: Russel SJ]]
-	[[Category: Skelton~~, N J]]~~	+	[[Category: Skelton NJ]]
-	~~[[Category: Beta hairpin]]~~	+
-	~~[[Category: Beta turn]]~~	+
-	~~[[Category: Cyclic disulfide]]~~	+
-	~~[[Category: De novo protein~~]]	+

OCA at 09:31, 5 May 2021

OCA — Wed, 05 May 2021 09:31:24 GMT

←Older revision		Revision as of 09:31, 5 May 2021
Line 3:		Line 3:
	<StructureSection load='1n0c' size='340' side='right'caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 NMR models]]' scene=''>		<StructureSection load='1n0c' size='340' side='right'caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1N0C FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1N0C FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1n09\|1n09]], [[1n0d\|1n0d]]</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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [~~http~~://pdbe.org/1n0c PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1n0c PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1n0c 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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [https://pdbe.org/1n0c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [https://www.ebi.ac.uk/pdbsum/1n0c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1n0c ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 07:19, 31 July 2019

OCA — Wed, 31 Jul 2019 07:19:02 GMT

←Older revision		Revision as of 07:19, 31 July 2019
Line 1:		Line 1:

	==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==		==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==
-	<StructureSection load='1n0c' size='340' side='right' caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 NMR models]]' scene=''>	+	<StructureSection load='1n0c' size='340' side='right'caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1N0C FirstGlance]. <br>		<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1N0C FirstGlance]. <br>
Line 21:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Blandl, T]]		[[Category: Blandl, T]]
	[[Category: Cochran, A G]]		[[Category: Cochran, A G]]

OCA at 10:08, 25 October 2017

OCA — Wed, 25 Oct 2017 10:08:42 GMT

←Older revision		Revision as of 10:08, 25 October 2017
Line 1:		Line 1:
		+
	==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==		==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==
	<StructureSection load='1n0c' size='340' side='right' caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 NMR models]]' scene=''>		<StructureSection load='1n0c' size='340' side='right' caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://pdbe.org/1n0c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c 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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://pdbe.org/1n0c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1n0c ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 20:31, 9 September 2015

OCA — Wed, 09 Sep 2015 20:31:37 GMT

←Older revision		Revision as of 20:31, 9 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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c 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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://pdbe.org/1n0c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c 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 1n0c" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 04:54, 22 December 2014

OCA — Mon, 22 Dec 2014 04:54:43 GMT

←Older revision		Revision as of 04:54, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1N0C FirstGlance]. <br>		<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1N0C FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c 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=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Blandl, T.]]	+	[[Category: Blandl, T]]
-	[[Category: Cochran, A G.]]	+	[[Category: Cochran, A G]]
-	[[Category: Russel, S J.]]	+	[[Category: Russel, S J]]
-	[[Category: Skelton, N J.]]	+	[[Category: Skelton, N J]]
	[[Category: Beta hairpin]]		[[Category: Beta hairpin]]
	[[Category: Beta turn]]		[[Category: Beta turn]]
	[[Category: Cyclic disulfide]]		[[Category: Cyclic disulfide]]
	[[Category: De novo protein]]		[[Category: De novo protein]]

OCA at 06:48, 9 June 2014

OCA — Mon, 09 Jun 2014 06:48:44 GMT

←Older revision		Revision as of 06:48, 9 June 2014
Line 1:		Line 1:
-	[[~~Image:~~1n0c.~~png~~\|~~left~~\|~~200px~~]]	+	==Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair==
		+	<StructureSection load='1n0c' size='340' side='right' caption='[[1n0c]], [[NMR_Ensembles_of_Models \| 20 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1N0C FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n09\|1n09]], [[1n0d\|1n0d]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1n0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n0c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1n0c RCSB], [http://www.ebi.ac.uk/pdbsum/1n0c PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Amino acid structural propensities measured in "host-guest" model studies are often used in protein structure prediction or to choose appropriate residues in de novo protein design. While this concept has proven useful for helical structures, it is more difficult to apply successfully to beta-sheets. We have developed a cyclic beta-hairpin scaffold as a host for measurement of individual residue contributions to hairpin structural stability. Previously, we have characterized substitutions in non-backbone-hydrogen-bonded strand sites; relative stability differences measured in the cyclic host are highly predictive of changes in folding free energy for linear beta-hairpin peptides. Here, we examine the hydrogen-bonded strand positions of our host. Surprisingly, we find a large favorable contribution to stability from a valine (or isoleucine) substitution immediately preceding the C-terminal cysteine of the host peptide, but not at the cross-strand position of the host or in either strand of a folded linear beta-hairpin (trpzip peptide). Further substitutions in the peptides and NMR structural analysis indicate that the stabilizing effect of valine is general for CX(8)C cyclic hairpins and cannot be explained by particular side-chain-side-chain interactions. Instead, a localized decrease in twist of the peptide backbone on the N-terminal side of the cysteine allows the valine side chain to adopt a unique conformation that decreases the solvent accessibility of the peptide backbone. The conformation differs from the highly twisted (coiled) conformation of the trpzip hairpins and is more typical of conformations present in multistranded beta-sheets. This unexpected structural fine-tuning may explain why cyclic hairpins selected from phage-displayed libraries often have valine in the same position, preceding the C-terminal cysteine. It also emphasizes the diversity of structures accessible to beta-strands and the importance of considering not only "beta-propensity", but also hydrogen-bonding pattern and strand twist, when designing beta structures. Finally, we observe correlated, cooperative stabilization from side-chain substitutions on opposite faces of the hairpin. This suggests that cooperative folding in beta-hairpins and other small beta-structures is driven by cooperative strand-strand association.

-	~~{{STRUCTURE_1n0c\| PDB=1n0c \| SCENE= }}~~	+	Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair.,Russell SJ, Blandl T, Skelton NJ, Cochran AG J Am Chem Soc. 2003 Jan 15;125(2):388-95. PMID:12517150<ref>PMID:12517150</ref>

-	~~===Stability~~ of ~~cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_12517150}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[1n0c]] is a 1 chain structure~~. ~~Full experimental information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=1N0C OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:012517150<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Blandl, T.]]		[[Category: Blandl, T.]]
	[[Category: Cochran, A G.]]		[[Category: Cochran, A G.]]

OCA: Protected "1n0c" [edit=sysop:move=sysop]

OCA — Tue, 14 Aug 2012 14:50:46 GMT

Protected "1n0c" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:50, 14 August 2012

OCA at 14:50, 14 August 2012

OCA — Tue, 14 Aug 2012 14:50:44 GMT

←Older revision		Revision as of 14:50, 14 August 2012
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-	{{Seed}}
	[[Image:1n0c.png\|left\|200px]]		[[Image:1n0c.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_1n0c\| PDB=1n0c \| SCENE= }}		{{STRUCTURE_1n0c\| PDB=1n0c \| SCENE= }}

	===Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair===		===Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_12517150}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 12517150 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_12517150}}		{{ABSTRACT_PUBMED_12517150}}

	==About this Structure==		==About this Structure==
-	Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA].	+	[[1n0c]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA].

	==Reference==		==Reference==
-	Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair., Russell SJ, Blandl T, Skelton NJ, Cochran AG, J Am Chem Soc. 2003 Jan 15;125(2):388-95. PMID:~~[http://www.ncbi.nlm.nih.gov~~/~~pubmed~~/~~12517150 12517150]~~	+	<ref group="xtra">PMID:012517150</ref><references group="xtra"/>
	[[Category: Blandl, T.]]		[[Category: Blandl, T.]]
	[[Category: Cochran, A G.]]		[[Category: Cochran, A G.]]
Line 31:		Line 19:
	[[Category: Beta turn]]		[[Category: Beta turn]]
	[[Category: Cyclic disulfide]]		[[Category: Cyclic disulfide]]
-		+	[[Category: De novo protein]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Sun Jul 27 12:20:33 2008''~~	+

OCA at 09:20, 27 July 2008

OCA — Sun, 27 Jul 2008 09:20:35 GMT

←Older revision		Revision as of 09:20, 27 July 2008
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-	[[Image:1n0c.~~jpg~~\|left\|200px]]	+	{{Seed}}
		+	[[Image:1n0c.png\|left\|200px]]

	<!--		<!--
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	{{STRUCTURE_1n0c\| PDB=1n0c \| SCENE= }}		{{STRUCTURE_1n0c\| PDB=1n0c \| SCENE= }}

-	~~'''~~Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair~~'''~~	+	===Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair===


-	~~==Overview==~~	+	<!--
-	~~Amino acid structural propensities measured in "host-guest" model studies are often used in protein structure prediction or to choose appropriate residues in de novo protein design. While~~ this ~~concept has proven useful for helical structures~~, it is more difficult to apply successfully to beta-sheets. We have developed a cyclic beta-hairpin scaffold as a host for measurement of individual residue contributions to hairpin structural stability. Previously, ~~we have characterized substitutions in non-backbone-hydrogen-bonded strand sites; relative stability differences measured in~~ the ~~cyclic host are highly predictive of changes in folding free energy for linear beta-hairpin peptides. Here, we examine~~ the ~~hydrogen-bonded strand positions of our host. Surprisingly, we find a large favorable contribution to stability from a valine~~ (~~or isoleucine) substitution immediately preceding the C-terminal cysteine of the host peptide, but not~~ at ~~the cross-strand position of the host or in either strand of a folded linear beta-hairpin (trpzip peptide)~~. ~~Further substitutions in the peptides and NMR structural analysis indicate that the stabilizing effect of valine is general for CX(8~~)~~C cyclic hairpins and cannot be explained by particular side-chain-side-chain interactions. Instead~~, a localized decrease in twist of the peptide backbone on the N-terminal side of the cysteine allows the valine side chain to adopt a unique conformation that decreases the solvent accessibility of the peptide backbone. The conformation differs from the highly twisted (coiled) conformation of the trpzip hairpins and is ~~more typical of conformations present in multistranded beta-sheets. This unexpected structural fine-tuning may explain why cyclic hairpins selected from phage-displayed libraries often have valine in~~ the ~~same position, preceding the C-terminal cysteine~~. ~~It also emphasizes the diversity of structures accessible to beta~~-~~strands and the importance of considering not only "beta~~-propensity", but also hydrogen-bonding pattern and strand twist, when designing beta structures. Finally, we observe correlated, cooperative stabilization from side-chain substitutions on opposite faces of the hairpin. This suggests that cooperative folding in beta-hairpins and other small beta-structures is driven by cooperative strand-strand association.	+	The line below this paragraph, {{ABSTRACT_PUBMED_12517150}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 12517150 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_12517150}}

	==About this Structure==		==About this Structure==
-	Full ~~crystallographic~~ information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA].	+	Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N0C OCA].

	==Reference==		==Reference==
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	[[Category: Beta turn]]		[[Category: Beta turn]]
	[[Category: Cyclic disulfide]]		[[Category: Cyclic disulfide]]
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sat May 3 01~~:55:55 2008''	+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 12:20:33 2008''