2kqo: Difference between revisions
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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 | <StructureSection load='2kqo' size='340' side='right'caption='[[2kqo]]' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>Full | <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> | </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 | [[Category: Almond A]] | ||
[[Category: Roberts | [[Category: Roberts IS]] | ||
[[Category: Sattelle | [[Category: Sattelle BM]] | ||
[[Category: Shakeri | [[Category: Shakeri J]] | ||
Revision as of 20:25, 8 November 2023
A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformationA 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation
Structural highlights
Publication Abstract from PubMedThe 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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