1hpn

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{{STRUCTURE_1hpn| PDB=1hpn | SCENE= }}
{{STRUCTURE_1hpn| PDB=1hpn | SCENE= }}
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'''N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN'''
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===N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN===
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==Overview==
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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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{{ABSTRACT_PUBMED_8352752}}
==About this Structure==
==About this Structure==
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HPN OCA].
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Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HPN OCA].
==Reference==
==Reference==
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[[Category: Mulloy, B.]]
[[Category: Mulloy, B.]]
[[Category: Glycosaminoglycan]]
[[Category: Glycosaminoglycan]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:05:57 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 08:30:29 2008''

Revision as of 05:30, 1 July 2008

Image:1hpn.png

Template:STRUCTURE 1hpn

N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN

Template:ABSTRACT PUBMED 8352752

About this Structure

Full experimental information is available from 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:8352752

Page seeded by OCA on Tue Jul 1 08:30:29 2008

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