TY - JOUR
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 - http://www.scopus.com/inward/record.url?scp=0032390101&partnerID=8YFLogxK
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 -
