Zaccai neutron resilience and site-specific hydration dynamics in a globular protein

被引:6
作者
Miao, Yinglong [1 ,2 ]
Hong, Liang [1 ,2 ]
Yi, Zheng [1 ,2 ]
Smith, Jeremy C. [1 ,2 ]
机构
[1] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA
[2] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA
基金
美国能源部;
关键词
PANCREATIC TRYPSIN-INHIBITOR; SCATTERING ANALYSIS; MOLECULAR-DYNAMICS; CYTOCHROME P450CAM; BACTERIORHODOPSIN; TEMPERATURE; SIMULATION; MYOGLOBIN; FLEXIBILITY; TRANSITION;
D O I
10.1140/epje/i2013-13072-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A discussion is presented of contributions of the Zaccai group to the understanding of flexibility in biological macromolecules using dynamic neutron scattering. The concept of resilience as introduced by Zaccai is discussed and investigated using molecular dynamics simulation on camphor-bound cytochrome P450. The resilience of hydrophilic residues is found to be more strongly affected by hydration than that of hydrophobic counterparts. The hydration-induced softening of protein propagates from the surface into the dry core. Moreover, buried hydrophilic residues behave more like those exposed on the protein surface, and are different from their hydrophobic counterparts.
引用
收藏
页数:6
相关论文
共 30 条
  • [11] INELASTIC NEUTRON-SCATTERING ANALYSIS OF HEXOKINASE DYNAMICS AND ITS MODIFICATION ON BINDING OF GLUCOSE
    JACROT, B
    CUSACK, S
    DIANOUX, AJ
    ENGELMAN, DM
    [J]. NATURE, 1982, 300 (5887) : 84 - 86
  • [12] P450cam Visits an Open Conformation in the Absence of Substrate
    Lee, Young-Tae
    Wilson, Richard F.
    Rupniewski, Igor
    Goodin, David B.
    [J]. BIOCHEMISTRY, 2010, 49 (16) : 3412 - 3419
  • [13] GROMACS 3.0: a package for molecular simulation and trajectory analysis
    Lindahl, E
    Hess, B
    van der Spoel, D
    [J]. JOURNAL OF MOLECULAR MODELING, 2001, 7 (08) : 306 - 317
  • [14] Temperature-Dependent Dynamical Transitions of Different Classes of Amino Acid Residue in a Globular Protein
    Miao, Yinglong
    Yi, Zheng
    Glass, Dennis C.
    Hong, Liang
    Tyagi, Madhusudan
    Baudry, Jerome
    Jain, Nitin
    Smith, Jeremy C.
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2012, 134 (48) : 19576 - 19579
  • [15] Coupled Flexibility Change in Cytochrome P450cam Substrate Binding Determined by Neutron Scattering, NMR, and Molecular Dynamics Simulation
    Miao, Yinglong
    Yi, Zheng
    Cantrell, Carey
    Glass, Dennis C.
    Baudry, Jerome
    Jain, Nitin
    Smith, Jeremy C.
    [J]. BIOPHYSICAL JOURNAL, 2012, 103 (10) : 2167 - 2176
  • [16] Active-Site Hydration and Water Diffusion in Cytochrome P450cam: A Highly Dynamic Process
    Miao, Yinglong
    Baudry, Jerome
    [J]. BIOPHYSICAL JOURNAL, 2011, 101 (06) : 1493 - 1503
  • [17] DYNAMICS OF METMYOGLOBIN CRYSTALS INVESTIGATED BY NUCLEAR GAMMA-RESONANCE ABSORPTION
    PARAK, F
    FROLOV, EN
    MOSSBAUER, RL
    GOLDANSKII, VI
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 1981, 145 (04) : 825 - 833
  • [18] Scalable molecular dynamics with NAMD
    Phillips, JC
    Braun, R
    Wang, W
    Gumbart, J
    Tajkhorshid, E
    Villa, E
    Chipot, C
    Skeel, RD
    Kalé, L
    Schulten, K
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2005, 26 (16) : 1781 - 1802
  • [19] DYNAMICS OF PROTEIN HYDRATION BY QUASI-ELASTIC NEUTRON-SCATTERING
    RANDALL, J
    MIDDENDORF, HD
    CRESPI, HL
    TAYLOR, AD
    [J]. NATURE, 1978, 276 (5688) : 636 - 638
  • [20] Dynamics of different functional parts of bacteriorhodopsin:: H-2H labeling and neutron scattering
    Réat, V
    Patzelt, H
    Ferrand, M
    Pfister, C
    Oesterhelt, D
    Zaccai, G
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1998, 95 (09) : 4970 - 4975