Conformational analysis of a complex between dolichos biflorus lectin and the forssman pentasaccharide using transferred noe build-up curves

Meike Rinnbauer; Emmanuel Mikros; Thomas Peters

doi:10.1080/07328309808002323

Conformational analysis of a complex between dolichos biflorus lectin and the forssman pentasaccharide using transferred noe build-up curves

Meike Rinnbauer, Emmanuel Mikros, Thomas Peters^*

^*Corresponding author for this work

Institute of Chemistry and Metabolomics

6 Citations (Scopus)

Abstract

A complex between the Forssman pentasaccharide α-D-GalNAc-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)- β-D-Gal-(1→4)-D-Glc and the seed lectin from Dolichos biflorus was studied using 2D transfer-NOESY (trNOESY) experiments. Experimental transfer-NOE (trNOE) build-up curves of the complex were compared to theoretical values from a complete relaxation and conformational exchange matrix (CORCEMA) calculation. The dissociation constant and the off-rate for the complex formation were determined by fitting experimental intra-glycosidic trNOE build-up curves to corresponding theoretical curves. Atomic coordinates for the complex were taken from a previous homology-modeling study of a complex between the disaccharide fragment α-D-GalNAc-(1→3)-β-D-GalNAc and D. biflorus lectin. The comparison of experimental and theoretical inter-glycosidic trNOEs expands our previous qualitative NMR study and allows further assessment of the quality of the homology modeling study.

Original language	English
Journal	Journal of Carbohydrate Chemistry
Volume	17
Issue number	2
Pages (from-to)	217-230
Number of pages	14
ISSN	0732-8303
DOIs	https://doi.org/10.1080/07328309808002323
Publication status	Published - 1998

Funding

We wish to thank the Deutsche Forschungsgemeinschaft (SFB 470, Project B3) and the Verband der Chemischen lndustrie for generous financial support. E. M. thanks the Deutscher Ahdemischer Austauschdienst (DAAD) for a travel grant. We would also like to thank Prof. N. R. Krishna and Dr. H. Moseley (University of Alabama at Birmingham) for providing us with the CORCEMA program and helpful advice for the calculation of trNOEs.

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Research Areas and Centers

Academic Focus: Center for Infection and Inflammation Research (ZIEL)

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10.1080/07328309808002323

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title = "Conformational analysis of a complex between dolichos biflorus lectin and the forssman pentasaccharide using transferred noe build-up curves",

abstract = "A complex between the Forssman pentasaccharide α-D-GalNAc-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)- β-D-Gal-(1→4)-D-Glc and the seed lectin from Dolichos biflorus was studied using 2D transfer-NOESY (trNOESY) experiments. Experimental transfer-NOE (trNOE) build-up curves of the complex were compared to theoretical values from a complete relaxation and conformational exchange matrix (CORCEMA) calculation. The dissociation constant and the off-rate for the complex formation were determined by fitting experimental intra-glycosidic trNOE build-up curves to corresponding theoretical curves. Atomic coordinates for the complex were taken from a previous homology-modeling study of a complex between the disaccharide fragment α-D-GalNAc-(1→3)-β-D-GalNAc and D. biflorus lectin. The comparison of experimental and theoretical inter-glycosidic trNOEs expands our previous qualitative NMR study and allows further assessment of the quality of the homology modeling study.",

author = "Meike Rinnbauer and Emmanuel Mikros and Thomas Peters",

note = "Funding Information: We wish to thank the Deutsche Forschungsgemeinschaft (SFB 470, Project B3) and the Verband der Chemischen lndustrie for generous financial support. E. M. thanks the Deutscher Ahdemischer Austauschdienst (DAAD) for a travel grant. We would also like to thank Prof. N. R. Krishna and Dr. H. Moseley (University of Alabama at Birmingham) for providing us with the CORCEMA program and helpful advice for the calculation of trNOEs. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.",

year = "1998",

doi = "10.1080/07328309808002323",

language = "English",

volume = "17",

pages = "217--230",

journal = "Journal of Carbohydrate Chemistry",

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publisher = "Taylor and Francis Ltd.",

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T1 - Conformational analysis of a complex between dolichos biflorus lectin and the forssman pentasaccharide using transferred noe build-up curves

AU - Rinnbauer, Meike

AU - Mikros, Emmanuel

AU - Peters, Thomas

N1 - Funding Information: We wish to thank the Deutsche Forschungsgemeinschaft (SFB 470, Project B3) and the Verband der Chemischen lndustrie for generous financial support. E. M. thanks the Deutscher Ahdemischer Austauschdienst (DAAD) for a travel grant. We would also like to thank Prof. N. R. Krishna and Dr. H. Moseley (University of Alabama at Birmingham) for providing us with the CORCEMA program and helpful advice for the calculation of trNOEs. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.

PY - 1998

Y1 - 1998

N2 - A complex between the Forssman pentasaccharide α-D-GalNAc-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)- β-D-Gal-(1→4)-D-Glc and the seed lectin from Dolichos biflorus was studied using 2D transfer-NOESY (trNOESY) experiments. Experimental transfer-NOE (trNOE) build-up curves of the complex were compared to theoretical values from a complete relaxation and conformational exchange matrix (CORCEMA) calculation. The dissociation constant and the off-rate for the complex formation were determined by fitting experimental intra-glycosidic trNOE build-up curves to corresponding theoretical curves. Atomic coordinates for the complex were taken from a previous homology-modeling study of a complex between the disaccharide fragment α-D-GalNAc-(1→3)-β-D-GalNAc and D. biflorus lectin. The comparison of experimental and theoretical inter-glycosidic trNOEs expands our previous qualitative NMR study and allows further assessment of the quality of the homology modeling study.

AB - A complex between the Forssman pentasaccharide α-D-GalNAc-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)- β-D-Gal-(1→4)-D-Glc and the seed lectin from Dolichos biflorus was studied using 2D transfer-NOESY (trNOESY) experiments. Experimental transfer-NOE (trNOE) build-up curves of the complex were compared to theoretical values from a complete relaxation and conformational exchange matrix (CORCEMA) calculation. The dissociation constant and the off-rate for the complex formation were determined by fitting experimental intra-glycosidic trNOE build-up curves to corresponding theoretical curves. Atomic coordinates for the complex were taken from a previous homology-modeling study of a complex between the disaccharide fragment α-D-GalNAc-(1→3)-β-D-GalNAc and D. biflorus lectin. The comparison of experimental and theoretical inter-glycosidic trNOEs expands our previous qualitative NMR study and allows further assessment of the quality of the homology modeling study.

UR - https://www.scopus.com/pages/publications/0032390101

U2 - 10.1080/07328309808002323

DO - 10.1080/07328309808002323

M3 - Journal articles

AN - SCOPUS:0032390101

SN - 0732-8303

VL - 17

SP - 217

EP - 230

JO - Journal of Carbohydrate Chemistry

JF - Journal of Carbohydrate Chemistry

IS - 2

ER -

Conformational analysis of a complex between dolichos biflorus lectin and the forssman pentasaccharide using transferred noe build-up curves

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