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Phys. Rev. Lett. 93, 028103 (2004) [4 pages]

Direct Determination of Vibrational Density of States Change on Ligand Binding to a Protein

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Erika Balog1,*, Torsten Becker1, Martin Oettl2, Ruep Lechner3, Roy Daniel2, John Finney4, and Jeremy C. Smith1,†
1Computational Molecular Biophysics, IWR, Universität Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany
2Department of Biological Sciences, University of Waikato, Private Bag 3105 Hamilton, New Zealand
3Hahn Meitner Institut Berlin, BENSC, Glienicker strasse 100, 14109 Berlin, Germany
4Department of Physics and Astronomy, University College London, London WCIE 6BT, United Kingdom

Received 18 September 2003; published 9 July 2004

The change in the vibrational density of states of a protein (dihydrofolate reductase) on binding a ligand (methotrexate) is determined using inelastic neutron scattering. The vibrations of the complex soften significantly relative to the unbound protein. The resulting free-energy change, which is directly determined by the density of states change, is found to contribute significantly to the binding equilibrium.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.93.028103
DOI:
10.1103/PhysRevLett.93.028103
PACS:
87.15.He

*Present address: Institut de Hautes Etudes Scientifiques, 35 route de Chartres, 91440 Bures sur Yvette, France.

†Corresponding author.

Electronic address: biocomputing@iwr.uni-heidelberg.de

 
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