1hpn
From Proteopedia
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|PDB= 1hpn |SIZE=350|CAPTION= <scene name='initialview01'>1hpn</scene> | |PDB= 1hpn |SIZE=350|CAPTION= <scene name='initialview01'>1hpn</scene> | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=IDS:O2-SULFO-GLUCURONIC+ACID'>IDS</scene>, <scene name='pdbligand=SGN:N,O6-DISULFO-GLUCOSAMINE'>SGN</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<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.ebi.ac.uk/pdbsum/1hpn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1hpn RCSB]</span> | ||
}} | }} | ||
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[[Category: glycosaminoglycan]] | [[Category: glycosaminoglycan]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:08:50 2008'' |
Revision as of 18:08, 30 March 2008
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| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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
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