TIGP--Intrinsic and Perturbed Equilibrium Protein Dynamics-Understanding Lock&Key and Induced-Fit in the Framework of Linear Response Theories
- LecturerDr. Lee Wei Yang (Postdoctoral Research Fellow, Department of Chemistry and Chemical Biology, Harvard University)
Host: Miss Elsa Pan - Time2010-05-06 (Thu.) 14:00 – 15:00
- LocationAuditorium 106 at new IIS Building
Abstract
Abstract:
Protein conformational changes due to either intrinsic fluctuations or
ligand-induced perturbations are essential in mediating functional molecular
mechanics supporting all forms of life in nature. In this talk, I will first present the
evidence revealing the robustness of low-frequency dynamics characterized by
“structural errors” of NMR structures and simple network models. Then, I will
talk about our latest work where we formulated a set of linear response theories
(LRT), both time-dependent/-independent that describe the functional
conformational changes of proteins as being triggered by external perturbations
(ligand-induced forces) in accord with the inclinations of its intrinsic dynamics
(unperturbed fluctuation covariance). Using the theories, we are able to study the
time-resolved, mechanical signal propagations inside the myoglobin molecule
upon carbon monoxide binding, and derive time constants of the molecular
response (ranging from hundreds of femtoseconds to a few tens of picoseconds)
which agree with those characterized by UV Resonance Raman (UVRR)
spectrometry. I will also give a personal view on how lock&key and induced-fit
can be understood in the framework of LRT.