title: Role of Conformational Motions in Enzyme Function: Selected Methodologies and Case Studies.
abstract: 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.
authors.affiliation: INRS-Institut Armand-Frappier, Université du Québec, 531 Boul. des Prairies, Laval, QC H7V 1B7, Canada (C.N.).
authors.forename: Chitra
authors.initials: C
authors.lastname: Narayanan
authors.affiliation: INRS-Institut Armand-Frappier, Université du Québec, 531 Boul. des Prairies, Laval, QC H7V 1B7, Canada (C.N.).
authors.forename: David N
authors.initials: DN
authors.lastname: Bernard
authors.affiliation: INRS-Institut Armand-Frappier, Université du Québec, 531 Boul. des Prairies, Laval, QC H7V 1B7, Canada (C.N.); PROTEO, the Québec Network for Research on Protein Function, Engineering, and Applications, 1045 Avenue de la Médecine, Université Laval, Québec, QC G1V 0A6, Canada; GRASP, the Groupe de Recherche Axé sur la Structure des Protéines, 3649 Promenade Sir William Osler, McGill University, Montréal, QC H3G 0B1, Canada.
authors.forename: Nicolas
authors.initials: N
authors.lastname: Doucet
keywords: DNA polymerase β; HIV-1 protease; conformational dynamics; enzyme catalysis; molecular dynamics simulations; nuclear magnetic resonance