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Multi-scale Approaches to Dynamical Transmission of Protein Allostery

Townsend, PD; Rodgers, TL; Pohl, E; Wilson, MR; Cann, MJ; McLeish, TCB


PD Townsend

TL Rodgers

E Pohl

MR Wilson

TCB McLeish


Luis Olivares-Quiroz

Orlando Guzmán-López

Hector Eduardo Jardón-Valadez


We review the idea that allosteric interactions can be transmitted not by structural switching but by the more subtle route of modulation of the amplitude of thermally-activated global dynamical modes in allosteric proteins. The effect is naturally addressed and explored through coarse-grained models of protein dynamics, but can be linked to atomistic models of substrate binding at the fine scale, and to themodynamic free energies at the macroscopic scale. A remarkable specificity at the residue level emerges: allosteric proteins possess a set of ‘control sites’ whose modification by single-point mutation may alter allosteric free-energies non-perturbatively.

Presentation Conference Type Conference Paper (Published)
Conference Name Physical Biology of Proteins and Peptides
Start Date Jan 31, 2015
Publication Date Oct 30, 2015
Deposit Date Nov 12, 2015
Publisher Springer Verlag
Pages 141-152
Book Title Physical Biology of Proteins and Peptides: Theory, Experiment, and Simulation
ISBN 9783319216867
Public URL