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dc.contributor.authorMikhailov, Dmitri
dc.contributor.authorMayo, Kevin H.
dc.contributor.authorVlahov, Ioncho R.
dc.contributor.authorToida, Toshihiko
dc.contributor.authorPervin, Azra
dc.contributor.authorLinhardt, Robert J.
dc.date1996
dc.date.accessioned2022-06-27T17:13:19Z
dc.date.available2022-06-27T17:13:19Z
dc.date.issued1996-08-15
dc.identifier.citationNMR Solution Conformation of Heparin-Derived Tetrasaccharide, D. Mikhailov, K. Mayo, I. R. Vlahov, T.T. Toida, R.J. Linhardt, Biochemical Journal, 318, 93-102, 1996.
dc.identifier.issn2646021
dc.identifier.urihttps://doi.org/10.1042/bj3180093
dc.identifier.urihttps://hdl.handle.net/20.500.13015/5933
dc.descriptionBiochemical Journal, 318, 93-102
dc.descriptionNote : if this item contains full text it may be a preprint, author manuscript, or a Gold OA copy that permits redistribution with a license such as CC BY. The final version is available through the publisher’s platform.
dc.description.abstractThe solution conformation of the homogeneous, heparin-derived tetrasaccharide delta UA2S(1-->4)-alpha-D-GlcNpS6S(1-->4)-alpha-L-IdoAp2S (1-->4)-alpha-D-GlcNpS6S (residues A, B, C and D respectively, where IdoA is iduronic acid) has been investigated by using 1H- and 13C-NMR. Ring conformations have been defined by J-coupling constants and inter-proton nuclear Overhauser effects (NOEs), and the orientation of one ring with respect to the other has been defined by inter-ring NOEs. NOE-based conformational modelling has been done by using the iterative relaxation matrix approach (IRMA), restrained molecular dynamics simulations and energy minimization to refine structures and to distinguish between minor structural differences and equilibria between various ring forms. Both glucosamine residues B and D are in the 4C1 chair conformation. The 6-O-sulphate group is oriented in the gauche-trans configuration in the D ring, whereas in the B ring the gauche-gauche rotomer predominates. Uronate (A) and iduronate (C) residues are mostly represented by 1H2 and 2S0 twisted boat forms, respectively, with small deviations in expected coupling constants and NOEs suggesting minor contributions from other A and C ring conformations.
dc.description.sponsorshipNational Institute of General Medical Sciences
dc.description.urihttps://login.libproxy.rpi.edu/login?url=https://doi.org/10.1042/bj3180093
dc.languageen_US
dc.language.isoENG
dc.relation.ispartofThe Linhardt Research Labs Online Collection
dc.relation.ispartofRensselaer Polytechnic Institute, Troy, NY
dc.relation.ispartofBiochemical Journal
dc.relation.urihttps://harc.rpi.edu/
dc.subjectBiology
dc.subjectChemistry and chemical biology
dc.subjectChemical and biological engineering
dc.subjectBiomedical engineering
dc.titleNMR Solution Conformation of Heparin-Derived Tetrasaccharide
dc.typeArticle
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dcterms.isVersionOfhttps://doi.org/10.1042/bj3180093
dc.rights.holderIn Copyright : this Item is protected by copyright and/or related rights. You are free to use this Item in any way that is permitted by the copyright and related rights legislation that applies to your use. For other uses you need to obtain permission from the rights-holder(s). https://rightsstatements.org/page/InC/1.0/
dc.creator.identifierhttps://orcid.org/0000-0003-2219-5833
dc.relation.departmentThe Linhardt Research Labs.
dc.relation.departmentThe Shirley Ann Jackson, Ph.D. Center for Biotechnology and Interdisciplinary Studies (CBIS)
rpi.description.pages93-102
rpi.description.volume318


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