Energy Transfer in a Protein Molecule: From Chemical Reaction to Structural Change

蛋白质分子中的能量转移：从化学反应到结构变化

• 批准号: 11480192
• 负责人: KIDERA Akinori
• 金额: $ 8.64万
• 依托单位: Yokohama City University (2001)Kyoto University (1999-2000)
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 1999
• 资助国家: 日本
• 起止时间: 1999 至 2001
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-11480192/
• 关键词: proteins; anharmonic vibration; vibrational reluxation; mode coupling; Fermi resonance; myoglobin; 非線型振動; フレルミ共鳴; ミオグロビンL

Anharmonic dynamics of a protein molecule was studied by molecular dynamics simulations of the vibrational energy transferred of myoglobin. It was found that there are two distinct schemes of the energy transfer, depending on temperature. At near zero temperature, the vibrational energy is transferred as a process of the Fermi resonance, from one mode exclusively to a limited number of modes having resonance frequencies. On the other hand, as temperature increases, the resonance type transfer is dominated by the off-resonance energy transfer through the various mode-coupling terms. Near room temperature, the energy transfers involves the higher order coupling terms together with the indirect transfers through intermediate modes. At about 170 K, we have observed a glass transition-line phenomenon in the vibrational energy transfer.

通过对肌红蛋白振动能量转移的分子动力学模拟，研究了蛋白质分子的非谐动力学。据发现，有两个不同的方案的能量转移，取决于温度。在接近零的温度下，振动能量作为费米共振的过程从一个模式排他性地转移到具有共振频率的有限数量的模式。另一方面，随着温度的升高，共振型转移由通过各种模式耦合项的非共振能量转移主导。在室温附近，能量传递包括高阶耦合项以及通过中间模的间接传递。在170 K左右，我们观察到振动能量转移的玻璃化转变线现象。

项目成果

K.Moritsugu: "Vibrational Energy Transfer in a Protein Molecule"Physical Review letter. 85. 3970-3973 (2000)

K.Moritsugu：“蛋白质分子中的振动能量转移”物理评论信。

S.-H Chong, Y.Joti, A.Kidera, N.Go, A.Ostermann, A.Gassmann, F.Parak: "Dynamical Transition of Myoglobin in a Crystal. Comparative Studies of X-ray Crystallography and Mossbauer Spectroscopy"European Biophysics J.. 30. 319-329 (2001)

S.-H Chong、Y.Joti、A.Kidera、N.Go、A.Ostermann、A.Gassmann、F.Parak：“晶体中肌红蛋白的动态转变。X 射线晶体学和穆斯堡尔光谱的比较研究”

T.Terada: "A Generaliged form of the consersed gualtity in constont-templeration moleculan dynamics"Journal of Chenical Plysics. 116. 33-41 (2002)

T.Terada：“常量分子动力学中保守质量的广义形式”Chenical Plysics 杂志。

K.Mitsuoka,T.Hirai,K.Murata,A.Miyazawa,A.Kidera,Y.Kimura,and Y.Fujiyoshi: "Charge distribution in the refined structure of bacteriorhodopsin based on electron crystallography"J. Mol. Biol.. 286. 861-882 (1999)

K.Mitsuoka、T.Hirai、K.Murata、A.Miyazawa、A.Kidera、Y.Kimura 和 Y.Fujiyoshi：“基于电子晶体学的细菌视紫红质精细结构中的电荷分布”J。

T.Terada: "A generalized form of the conserved quantity in constant-temperature molecular dynamics"Journal of Chemical Physics. 116. 33-41 (2002)

T.Terada：“恒温分子动力学守恒量的广义形式”化学物理杂志。