Role of Conformational Motions in Enzyme Function: Selected Methodologies and Case Studies.

Chitra Narayanan (1) , David N Bernard (1) , Nicolas Doucet (1, 2, 3)

1 INRS-IAF - Institut Armand Frappier
2 ULaval - Université Laval [Québec]
3 McGill University = Université McGill [Montréal, Canada]

It is now common knowledge that enzymes are mobile entities relying on complex atomic-scale dynamics and coordinated conformational events for proper ligand recognition and catalysis. However, the exact role of protein dynamics in enzyme function remains either poorly understood or difficult to interpret. This mini-review intends to reconcile biophysical observations and biological significance by first describing a number of common experimental and computational methodologies employed to characterize atomic-scale residue motions on various timescales in enzymes, and second by illustrating how the knowledge of these motions can be used to describe the functional behavior of enzymes and even act upon it. Two biologically relevant examples will be highlighted, namely the HIV-1 protease and DNA polymerase β enzyme systems.

Mots clés: HIV-1 protease; DNA polymerase β; conformational dynamics; enzyme catalysis; molecular dynamics simulations; nuclear magnetic resonance

Domaines: Sciences du Vivant [q-bio]; Ingénierie biomédicale

Chitra Narayanan, David N Bernard, Nicolas Doucet. Role of Conformational Motions in Enzyme Function: Selected Methodologies and Case Studies.. Catalysts, 2017, Special Issue "Enzymes Catalysts", 6 (6), pp.81. ⟨10.3390/catal6060081⟩. ⟨pasteur-01534404⟩