2kqo - Revision history

OCA at 06:47, 1 May 2024

2024-05-01T06:47:49Z

←Older revision		Revision as of 06:47, 1 May 2024
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	</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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [https://pdbe.org/2kqo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [https://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>		</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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [https://pdbe.org/2kqo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [https://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>
	</table>		</table>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The glycosaminoglycan chondroitin sulfate is essential in human health and disease but exactly how sulfation dictates its 3D-structure at the atomic level is unclear. To address this, we have purified homogenous oligosaccharides of unsulfated chondroitin (with and without (15)N-enrichment) and analysed them by high-field NMR to make a comparison published chondroitin sulfate and hyaluronan 3D-structures. The result is the first full assignment of the tetrasaccharide and an experimental 3D-model of the hexasaccharide (PDB code 2KQO). In common with hyaluronan, we confirm that the amide proton is not involved in strong, persistent inter-residue hydrogen bonds. However, in contrast to hyaluronan, a hydrogen bond is not inferred between the hexosamine OH-4 and the glucuronic acid O5 atoms across the beta(1-->3) glycosidic linkage. The unsulfated chondroitin bond geometry differs slightly from hyaluronan by rotation about the beta(1-->3) psi dihedral (as previously predicted by simulation), while the beta(1-->4) linkage is unaffected. Furthermore, comparison shows that this glycosidic linkage geometry is similar in chondroitin-4-sulfate. We therefore hypothesise that both hexosamine OH-4 and OH-6 atoms are solvent exposed in chondroitin, explaining why it is amenable to sulfation and hyaluronan is not, and also that 4-sulfation has little effect on backbone conformation. Our conclusions exemplify the value of the 3D-model presented here and progress our understanding of glycosaminoglycan molecular properties.
-
-	A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation.,Sattelle BM, Shakeri J, Roberts IS, Almond A Carbohydr Res. 2010 Jan 26;345(2):291-302. Epub 2009 Nov 23. PMID:20022001<ref>PMID:20022001</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 2kqo" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 17:25, 8 November 2023

2023-11-08T17:25:25Z

←Older revision		Revision as of 17:25, 8 November 2023
Line 1:		Line 1:

	==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==		==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==
-	<StructureSection load='2kqo' size='340' side='right'caption='[[2kqo~~]], [[NMR_Ensembles_of_Models \| 25 NMR models~~]]' scene=''>	+	<StructureSection load='2kqo' size='340' side='right'caption='[[2kqo]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full ~~experimental~~ information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2KQO FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2KQO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></td></tr>	+	</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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [https://pdbe.org/2kqo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [https://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo 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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [https://pdbe.org/2kqo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [https://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>	+
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Almond, A]]	+	[[Category: Almond A]]
-	[[Category: Roberts~~, I S~~]]	+	[[Category: Roberts IS]]
-	[[Category: Sattelle~~, B M~~]]	+	[[Category: Sattelle BM]]
-	[[Category: Shakeri, J]]	+	[[Category: Shakeri J]]
-	~~[[Category: Carbohydrate]]~~	+
-	~~[[Category: Conformation]]~~	+
-	~~[[Category: D-glucuronic acid]]~~	+
-	~~[[Category: Explicit solvent molecular dynamics simulation]]~~	+
-	~~[[Category: Extracellular matrix]]~~	+
-	~~[[Category: Glycosaminoglycan]]~~	+
-	~~[[Category: N-acetyl-d-galactosamine]]~~	+
-	~~[[Category: Unsulphated chondroitin~~]]	+

OCA at 07:35, 2 February 2022

2022-02-02T07:35:47Z

←Older revision		Revision as of 07:35, 2 February 2022
Line 3:		Line 3:
	<StructureSection load='2kqo' size='340' side='right'caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>		<StructureSection load='2kqo' size='340' side='right'caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>~~[[2kqo]] is a 1 chain structure.~~ Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2KQO FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2KQO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [~~http~~://pdbe.org/2kqo PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo 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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [https://pdbe.org/2kqo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [https://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 07:35, 29 April 2020

2020-04-29T07:35:07Z

←Older revision		Revision as of 07:35, 29 April 2020
Line 1:		Line 1:

	==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==		==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==
-	<StructureSection load='2kqo' size='340' side='right' caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>	+	<StructureSection load='2kqo' size='340' side='right'caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2KQO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2KQO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://pdbe.org/2kqo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://pdbe.org/2kqo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Almond, A]]		[[Category: Almond, A]]
	[[Category: Roberts, I S]]		[[Category: Roberts, I S]]

OCA at 08:00, 25 July 2018

2018-07-25T08:00:05Z

←Older revision		Revision as of 08:00, 25 July 2018
Line 1:		Line 1:
		+
	==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==		==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==
	<StructureSection load='2kqo' size='340' side='right' caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>		<StructureSection load='2kqo' size='340' side='right' caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>
Line 4:		Line 5:
	<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2KQO FirstGlance]. <br>		<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2KQO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://pdbe.org/2kqo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo 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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://pdbe.org/2kqo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2kqo ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:23, 11 September 2015

2015-09-11T05:23:25Z

←Older revision		Revision as of 05:23, 11 September 2015
Line 4:		Line 4:
	<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2KQO FirstGlance]. <br>		<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2KQO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo 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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://pdbe.org/2kqo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo PDBsum]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 14:		Line 14:
	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 2kqo" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 15:12, 19 January 2015

2015-01-19T15:12:50Z

←Older revision		Revision as of 15:12, 19 January 2015
Line 18:		Line 18:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Almond, A.]]	+	[[Category: Almond, A]]
-	[[Category: Roberts, I S.]]	+	[[Category: Roberts, I S]]
-	[[Category: Sattelle, B M.]]	+	[[Category: Sattelle, B M]]
-	[[Category: Shakeri, J.]]	+	[[Category: Shakeri, J]]
	[[Category: Carbohydrate]]		[[Category: Carbohydrate]]
	[[Category: Conformation]]		[[Category: Conformation]]

OCA at 15:34, 12 October 2014

2014-10-12T15:34:33Z

←Older revision		Revision as of 15:34, 12 October 2014
Line 1:		Line 1:
-	[[~~Image:~~2kqo.~~png~~\|~~left\|200px~~]]	+	==A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation==
		+	<StructureSection load='2kqo' size='340' side='right' caption='[[2kqo]], [[NMR_Ensembles_of_Models \| 25 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2KQO FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BDP:BETA-D-GLUCOPYRANURONIC+ACID'>BDP</scene>, <scene name='pdbligand=NGA:N-ACETYL-D-GALACTOSAMINE'>NGA</scene></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=2kqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kqo OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2kqo RCSB], [http://www.ebi.ac.uk/pdbsum/2kqo PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The glycosaminoglycan chondroitin sulfate is essential in human health and disease but exactly how sulfation dictates its 3D-structure at the atomic level is unclear. To address this, we have purified homogenous oligosaccharides of unsulfated chondroitin (with and without (15)N-enrichment) and analysed them by high-field NMR to make a comparison published chondroitin sulfate and hyaluronan 3D-structures. The result is the first full assignment of the tetrasaccharide and an experimental 3D-model of the hexasaccharide (PDB code 2KQO). In common with hyaluronan, we confirm that the amide proton is not involved in strong, persistent inter-residue hydrogen bonds. However, in contrast to hyaluronan, a hydrogen bond is not inferred between the hexosamine OH-4 and the glucuronic acid O5 atoms across the beta(1-->3) glycosidic linkage. The unsulfated chondroitin bond geometry differs slightly from hyaluronan by rotation about the beta(1-->3) psi dihedral (as previously predicted by simulation), while the beta(1-->4) linkage is unaffected. Furthermore, comparison shows that this glycosidic linkage geometry is similar in chondroitin-4-sulfate. We therefore hypothesise that both hexosamine OH-4 and OH-6 atoms are solvent exposed in chondroitin, explaining why it is amenable to sulfation and hyaluronan is not, and also that 4-sulfation has little effect on backbone conformation. Our conclusions exemplify the value of the 3D-model presented here and progress our understanding of glycosaminoglycan molecular properties.

-	~~{{STRUCTURE_2kqo\| PDB=2kqo \| SCENE= }}~~	+	A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation.,Sattelle BM, Shakeri J, Roberts IS, Almond A Carbohydr Res. 2010 Jan 26;345(2):291-302. Epub 2009 Nov 23. PMID:20022001<ref>PMID:20022001</ref>

-	~~===A 3D-structural model~~ of ~~unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_20022001}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[2kqo]] is a 1 chain structure~~. ~~Full experimental information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=2KQO OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:020022001<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Almond, A.]]		[[Category: Almond, A.]]
	[[Category: Roberts, I S.]]		[[Category: Roberts, I S.]]

OCA: Protected "2kqo" [edit=sysop:move=sysop]

2013-01-07T11:00:27Z

Protected "2kqo" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:00, 7 January 2013

OCA at 11:00, 7 January 2013

2013-01-07T11:00:23Z

←Older revision		Revision as of 11:00, 7 January 2013
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-	{{Seed}}
	[[Image:2kqo.png\|left\|200px]]		[[Image:2kqo.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2kqo", 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_2kqo\| PDB=2kqo \| SCENE= }}		{{STRUCTURE_2kqo\| PDB=2kqo \| SCENE= }}

	===A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation===		===A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20022001}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20022001 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_20022001}}		{{ABSTRACT_PUBMED_20022001}}

	==About this Structure==		==About this Structure==
-	~~2KQO~~ is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA].	+	[[2kqo]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KQO OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~20022001~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:020022001</ref><references group="xtra"/>
	[[Category: Almond, A.]]		[[Category: Almond, A.]]
	[[Category: Roberts, I S.]]		[[Category: Roberts, I S.]]
Line 36:		Line 24:
	[[Category: N-acetyl-d-galactosamine]]		[[Category: N-acetyl-d-galactosamine]]
	[[Category: Unsulphated chondroitin]]		[[Category: Unsulphated chondroitin]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 6 08:59:04 2010''