Conformation and Dynamics at a Flexible Glycosidic Linkage Revealed by NMR Spectroscopy and Molecular Dynamics Simulations: Analysis of β-l-Fucp-(1→6)-α-d-Glcp-OMe in Water Solution

Robert Pendrill; Elin Säwén; Göran Widmalm

doi:10.1021/jp409985h

journal article Nov 18, 2013

Conformation and Dynamics at a Flexible Glycosidic Linkage Revealed by NMR Spectroscopy and Molecular Dynamics Simulations: Analysis of β-l-Fucp-(1→6)-α-d-Glcp-OMe in Water Solution

Robert Pendrill Elin Säwén Göran Widmalm

The Journal of Physical Chemistry B Vol. 117 No. 47 pp. 14709-14722 · American Chemical Society (ACS)

View at Publisher Save 10.1021/jp409985h

Topics

No keywords indexed for this article. Browse by subject →

References

68

[1]

Varki A. (2009)

[2]

Bush C. A. Annu. Rev. Biophys. Biomol. Struct. (1999) 10.1146/annurev.biophys.28.1.269

[3]

Landström J. Carbohydr. Res. (2010) 10.1016/j.carres.2009.11.003

[4]

Sattelle B. M. Phys. Chem. Chem. Phys. (2012) 10.1039/c2cp40071e

[5]

Hatcher E. J. Phys. Chem. B (2011) 10.1021/jp109475p

[6]

Bock K. J. Carbohydr. Chem. (1994) 10.1080/07328309408011662

[7]

Stenutz R. J. Org. Chem. (2002) 10.1021/jo010985i

[8]

Gonzalez-Outeiriño J. Can. J. Chem. (2006) 10.1139/v06-036

[9]

Barnett C. B. J. Phys. Chem. B (2008) 10.1021/jp8067409

[10]

Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds

Saul Wolfe

Accounts of Chemical Research 1972 10.1021/ar50051a003

[11]

Freitas M. P. J. Phys. Chem. A (2007) 10.1021/jp0728196

[12]

Hassel O. Acta Chem. Scand. (1947) 10.3891/acta.chem.scand.01-0929

[13]

Bock K. Carbohydr. Res. (1992) 10.1016/s0008-6215(00)90544-5

[14]

Lycknert K. Biochemistry (2004) 10.1021/bi0499011

[15]

Corzana F. J. Comput. Chem. (2004) 10.1002/jcc.10405

[16]

Olsson U. J. Phys. Chem. B (2008) 10.1021/jp710977k

[17]

Olsson U. Chem.—Eur. J. (2009) 10.1002/chem.200900507

[18]

Perić-Hassler L. Carbohydr. Res. (2010) 10.1016/j.carres.2010.05.026

[19]

Dowd M. K. Biopolymers (1994) 10.1002/bip.360340505

[20]

Pereira C. S. Biophys. J. (2006) 10.1529/biophysj.106.081539

[21]

Zerbetto M. J. Chem. Phys. (2009) 10.1063/1.3268766

[22]

Kubota Y. Magn. Reson. Chem. (2012) 10.1002/mrc.3859

[23]

Gabius H.-J. ChemBioChem (2004) 10.1002/cbic.200300753

[24]

Baumann H. J. Chem. Soc., Perkin Trans. 1 (1991) 10.1039/p19910002229

[25]

Neuhaus D. (2000)

[26]

Hu H. J. Magn. Reson. (2006) 10.1016/j.jmr.2006.06.009

[27]

Bevington, P. R.; Robinson, D. K.Data Reduction and Error Analysis for the Physical Sciences,3rd ed.McGraw-Hill:New York, 2003; pp207–208.

[28]

Davis D. G. A J. Am. Chem. Soc. (1987) 10.1021/ja00245a054

[29]

Determination of Relative N−HN, N−C‘, Cα−C‘, and Cα−Hα Effective Bond Lengths in a Protein by NMR in a Dilute Liquid Crystalline Phase

Marcel Ottiger, Ad Bax

Journal of the American Chemical Society 1998 10.1021/ja9826791

[30]

Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity

Giovanni Lipari, Attila Szabo

Journal of the American Chemical Society 1982 10.1021/ja00381a009

[31]

Rotational diffusion anisotropy of human ubiquitin from 15N NMR relaxation

Nico Tjandra, Scott E. Feller, Richard W. Pastor et al.

Journal of the American Chemical Society 1995 10.1021/ja00155a020

[32]

Rundlöf T. J. Am. Chem. Soc. (1999) 10.1021/ja992675b

[33]

Directional Statistics

Kanti V. Mardia, Peter E. Jupp

Wiley Series in Probability and Statistics 1999 10.1002/9780470316979

[34]

Findeisen M. Magn. Reson. Chem. (2007) 10.1002/mrc.1941

[35]

Stott K. J. Magn. Reson. (1997) 10.1006/jmre.1997.1110

[36]

Kjellberg A. Biopolymers (1999) 10.1002/(sici)1097-0282(19991005)50:4<391::aid-bip5>3.0.co;2-s

[37]

Hu H. J. Magn. Reson. (2004) 10.1016/j.jmr.2004.08.018

[38]

Kupče E̅. J. Magn. Reson., Ser. B (1995) 10.1006/jmrb.1995.1049

[39]

Thrippleton M. J. Angew. Chem., Int. Ed. (2003) 10.1002/anie.200351947

[40]

Macura S. J. Magn. Reson. (1986)

[41]

Laatikainen R. J. Magn. Reson., Ser. A (1996) 10.1006/jmra.1996.0094

[42]

Meissner A. Magn. Reson. Chem. (2001) 10.1002/1097-458x(200101)39:1<49::aid-mrc798>3.0.co;2-s

[43]

Koźmiński W. J. Magn. Reson. (1997) 10.1006/jmre.1996.1016

[44]

Wu D. H. J. Magn. Reson., Ser. A (1995) 10.1006/jmra.1995.1176

[45]

Stejskal E. O. J. Chem. Phys. (1965) 10.1063/1.1695690

[46]

Damberg P. J. Magn. Reson. (2001) 10.1006/jmre.2000.2260

[47]

Zhou Z. J. Magn. Reson. (2007) 10.1016/j.jmr.2007.05.005

[48]

CHARMM: The biomolecular simulation program

B. R. Brooks, C. L. Brooks, A. D. Mackerell et al.

Journal of Computational Chemistry 2009 10.1002/jcc.21287

[49]

Eklund R. Carbohydr. Res. (2003) 10.1016/s0008-6215(02)00503-7

[50]

Effect of Electrostatic Force Truncation on Interfacial and Transport Properties of Water

Scott E. Feller, Richard W. Pastor, Atipat Rojnuckarin et al.

The Journal of Physical Chemistry 1996 10.1021/jp9614658

Showing 50 of 68 references

Metrics

23

Citations

68

References

Details

Published: Nov 18, 2013
Vol/Issue: 117(47)
Pages: 14709-14722

Authors

R

Robert Pendrill

Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm, Sweden

E

Elin Säwén

Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm, Sweden

G

Göran Widmalm

Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm, Sweden

Cite This Article

Robert Pendrill, Elin Säwén, Göran Widmalm (2013). Conformation and Dynamics at a Flexible Glycosidic Linkage Revealed by NMR Spectroscopy and Molecular Dynamics Simulations: Analysis of β-l-Fucp-(1→6)-α-d-Glcp-OMe in Water Solution. The Journal of Physical Chemistry B, 117(47), 14709-14722. https://doi.org/10.1021/jp409985h

Conformation and Dynamics at a Flexible Glycosidic Linkage Revealed by NMR Spectroscopy and Molecular Dynamics Simulations: Analysis of β-l-Fucp-(1→6)-α-d-Glcp-OMe in Water Solution

You May Also Like