BIOPHYSICAL THEORY AND MODELING |
Coupling of global and local vibrational modes in dynamic allostery of proteins
Rhoda J. Hawkins 1* and Tom C. B. McLeish 1
1 University of Leeds
* To whom correspondence should be addressed. E-mail: rhoda.hawkins{at}physics.org.
Submitted on February 6, 2006
Revised on March 24, 2006
Accepted on 30 May 2006
 |
Abstract |
|---|
It is now recognised that internal global protein dynamics play an important role in the allosteric function of many proteins. Alterations of protein flexibility on effector binding affects the entropic cost of binding at a distant site. We present a coarse-grained model for a potential amplification of such entropic allostery due to coupling of fast, localised modes to the slow, global modes. We show how such coupling can give rise to large compensating entropic and enthalpic terms. The model corresponds to the pattern of calorimetry and NMR data from experiments on the met repressor.
Key Words:
allosteric, coarse-grained, dynamics, met repressor, protein, theory
