1hpn: Difference between revisions
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==N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN== | |||
<StructureSection load='1hpn' size='340' side='right' caption='[[1hpn]], [[NMR_Ensembles_of_Models | 2 NMR models]]' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HPN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1HPN FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IDS:2-O-SULFO-ALPHA-L-IDOPYRANURONIC+ACID'>IDS</scene>, <scene name='pdbligand=SGN:N,O6-DISULFO-GLUCOSAMINE'>SGN</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=1hpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hpn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1hpn RCSB], [http://www.ebi.ac.uk/pdbsum/1hpn PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The solution conformations of heparin and de-N-sulphated, re-N-acetylated heparin have been determined by a combination of n.m.r. spectroscopic and molecular-modelling techniques. The 1H- and 13C-n.m.r. spectra of these polysaccharides have been assigned. Observed 1H-1H nuclear Overhauser enhancements (n.O.e.s) have been simulated using the program NOEMOL [Forster, Jones and Mulloy (1989) J. Mol. Graph. 7, 196-201] for molecular models derived from conformational-energy calculations; correlation times for the simulations were chosen to fit experimentally determined 13C spin-lattice relaxation times. In order to achieve good agreement between calculated and observed 1H-1H n.O.e.s it was necessary to assume that the reorientational motion of the polysaccharide molecules was not isotropic, but was that of a symmetric top. The resulting model of heparin in solution is similar to that determined in the fibrous state by X-ray-diffraction techniques [Nieduszynski, Gardner and Atkins (1977) Am. Chem. Soc. Symp. Ser. 48, 73-80]. | |||
N.m.r. and molecular-modelling studies of the solution conformation of heparin.,Mulloy B, Forster MJ, Jones C, Davies DB Biochem J. 1993 Aug 1;293 ( Pt 3):849-58. PMID:8352752<ref>PMID:8352752</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | ==See Also== | ||
*[[NMR Ensembles of Models|NMR Ensembles of Models]] | *[[NMR Ensembles of Models|NMR Ensembles of Models]] | ||
[[Category: Forster, M J | == References == | ||
[[Category: Mulloy, B | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Forster, M J]] | |||
[[Category: Mulloy, B]] | |||
[[Category: Glycosaminoglycan]] | [[Category: Glycosaminoglycan]] | ||
Revision as of 13:54, 17 December 2014
N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN
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