title: Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering.
abstract: Protein function often depends on global, collective internal motions. However, the simultaneous quantitative experimental determination of the forms, amplitudes, and time scales of these motions has remained elusive. We demonstrate that a complete description of these large-scale dynamic modes can be obtained using coherent neutron-scattering experiments on perdeuterated samples. With this approach, a microscopic relationship between the structure, dynamics, and function in a protein, cytochrome P450cam, is established. The approach developed here should be of general applicability to protein systems.
authors.affiliation: Institute of Natural Sciences and Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China.
authors.forename: Liang
authors.initials: L
authors.lastname: Hong
authors.affiliation: Department of Biochemistry & Cellular and Molecular Biology, University of Tennessee, Knoxville, TN 37996, USA.
authors.forename: Nitin
authors.initials: N
authors.lastname: Jain
authors.affiliation: Center for Molecular Biophysics, Oak Ridge National Laboratory, TN 37831, USA.; Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, Knoxville, TN 37996, USA.
authors.forename: Xiaolin
authors.initials: X
authors.lastname: Cheng
authors.affiliation: Department of Biochemistry & Cellular and Molecular Biology, University of Tennessee, Knoxville, TN 37996, USA.
authors.forename: Ana
authors.initials: A
authors.lastname: Bernal
authors.affiliation: NIST Center for Neutron Research, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA.; Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA.
authors.forename: Madhusudan
authors.initials: M
authors.lastname: Tyagi
authors.affiliation: Center for Molecular Biophysics, Oak Ridge National Laboratory, TN 37831, USA.; Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, Knoxville, TN 37996, USA.
authors.forename: Jeremy C
authors.identifier: 0000-0002-2978-3227
authors.initials: JC
authors.lastname: Smith
mesh_terms: D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D009038:Motion; D033363:Neutron Diffraction
chemical_list: D003577:Cytochrome P-450 Enzyme System
keywords: Protein dynamics; coherent neutron scattering; collective motion; molecular dynamics simulation; normal mode analysis