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| - | [[Image:1hpn.jpg|left|200px]] | |
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| - | <!--
| + | ==N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN== |
| - | The line below this paragraph, containing "STRUCTURE_1hpn", creates the "Structure Box" on the page.
| + | <StructureSection load='1hpn' size='340' side='right'caption='[[1hpn]]' scene=''> |
| - | You may change the PDB parameter (which sets the PDB file loaded into the applet)
| + | == Structural highlights == |
| - | or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
| + | <table><tr><td colspan='2'>Full crystallographic 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 [https://proteopedia.org/fgij/fg.htm?mol=1HPN FirstGlance]. <br> |
| - | or leave the SCENE parameter empty for the default display.
| + | </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=1hpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hpn OCA], [https://pdbe.org/1hpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hpn RCSB], [https://www.ebi.ac.uk/pdbsum/1hpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hpn ProSAT]</span></td></tr> |
| - | -->
| + | </table> |
| - | {{STRUCTURE_1hpn| PDB=1hpn | SCENE= }}
| + | __TOC__ |
| - | | + | </StructureSection> |
| - | '''N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN'''
| + | [[Category: Large Structures]] |
| - | | + | [[Category: Forster MJ]] |
| - | | + | [[Category: Mulloy B]] |
| - | ==Overview== | + | |
| - | 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].
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| - | | + | |
| - | ==About this Structure== | + | |
| - | Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HPN OCA]. | + | |
| - | | + | |
| - | ==Reference== | + | |
| - | 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:[http://www.ncbi.nlm.nih.gov/pubmed/8352752 8352752]
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| - | [[Category: Forster, M J.]] | + | |
| - | [[Category: Mulloy, B.]] | + | |
| - | [[Category: Glycosaminoglycan]] | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:05:57 2008''
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