View source for 2kqo


==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://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>
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== 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--&gt;3) glycosidic linkage. The unsulfated chondroitin bond geometry differs slightly from hyaluronan by rotation about the beta(1--&gt;3) psi dihedral (as previously predicted by simulation), while the beta(1--&gt;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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 2kqo" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Almond, A]]
[[Category: Roberts, I S]]
[[Category: Sattelle, B M]]
[[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]]