1hpn
From Proteopedia
(New page: 200px<br /><applet load="1hpn" size="450" color="white" frame="true" align="right" spinBox="true" caption="1hpn" /> '''N.M.R. AND MOLECULAR-MODELLING STUDIES OF TH...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:1hpn.jpg|left|200px]]<br /><applet load="1hpn" size=" | + | [[Image:1hpn.jpg|left|200px]]<br /><applet load="1hpn" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1hpn" /> | caption="1hpn" /> | ||
'''N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN'''<br /> | '''N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The solution conformations of heparin and de-N-sulphated, re-N-acetylated | + | 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]. |
==About this Structure== | ==About this Structure== | ||
| - | 1HPN is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http:// | + | 1HPN is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HPN OCA]. |
==Reference== | ==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://ispc.weizmann.ac.il//pmbin/getpm?pmid=8352752 8352752] | 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://ispc.weizmann.ac.il//pmbin/getpm?pmid=8352752 8352752] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| - | [[Category: Forster, M | + | [[Category: Forster, M J.]] |
[[Category: Mulloy, B.]] | [[Category: Mulloy, B.]] | ||
[[Category: glycosaminoglycan]] | [[Category: glycosaminoglycan]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:03:34 2008'' |
Revision as of 11:03, 21 February 2008
|
N.M.R. AND MOLECULAR-MODELLING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN
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].
About this Structure
1HPN is a Protein complex structure of sequences from [1]. Full crystallographic 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 Thu Feb 21 13:03:34 2008
