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| ==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'>[[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'>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"><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'>[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> | | </table> |
| <div style="background-color:#fffaf0;">
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| == Publication Abstract from PubMed ==
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| 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.
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| 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>
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| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| </div>
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| == References ==
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| <references/>
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| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
| [[Category: Almond, A.]] | | [[Category: Large Structures]] |
| [[Category: Roberts, I S.]] | | [[Category: Almond A]] |
| [[Category: Sattelle, B M.]] | | [[Category: Roberts IS]] |
| [[Category: Shakeri, J.]] | | [[Category: Sattelle BM]] |
| [[Category: Carbohydrate]] | | [[Category: Shakeri J]] |
| [[Category: Conformation]]
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| [[Category: D-glucuronic acid]]
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| [[Category: Explicit solvent molecular dynamics simulation]]
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| [[Category: Extracellular matrix]]
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| [[Category: Glycosaminoglycan]]
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| [[Category: N-acetyl-d-galactosamine]]
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| [[Category: Unsulphated chondroitin]]
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