【作者】 朱鹏宇； 马春敏； 杨杨； 范婧； 边鑫； 任丽琨； 王冰； 刘晓飞； 陈凤莲； 张光； 张娜；

【Author】 Zhu Pengyu;Ma Chunmin;Yang Yang;Fan Jing;Bian Xin;Ren Likun;Wang Bing;Liu Xiaofei;Chen Fenglian;Zhang Guang;Zhang Na;School of Food Engineering,Harbin University of Commerce;

【机构】 哈尔滨商业大学食品工程学院；

【摘要】 大米谷蛋白作为大米蛋白中的主要成分,已引起广泛关注,而大豆11S球蛋白可作为改良剂来提高蛋白质品质。在这项工作中,通过多光谱和分子动力学模拟评估了大米谷蛋白和大豆11S球蛋白之间的相互作用机制。通过荧光光谱、紫外-可见光谱和圆二光谱证实了大米谷蛋白-大豆11S球蛋白复合物的二级和三级结构的形成和变化。复合物中α-螺旋和β-转角含量增加,β-折叠含量减少,无规线圈保持不变,二级结构的变化与粒径显著相关。此外,疏水基团的暴露和二硫键的形成出现在大米谷蛋白和大豆11S球蛋白的相互作用中。荧光光谱和分子动力学模拟表明,疏水相互作用和氢键是蛋白互作中的主导作用,大米谷蛋白中的的Tyr-460、Gln-196、Gln-450、Ala-194、Leu-206、Arg-257、Asn-493、Hle-413、Arg-474、Asn-473和Asn-458残基在形成氢键中起重要作用。分子动力学模拟从均方根偏差、均方根涨落、氢键、二级结构和结合自由能分析的角度验证了这些实验结果。这项研究为蛋白质和蛋白质相互作用的研究提供了新的见解,这对于提高蛋白质的品质非常重要。更多还原

【Abstract】 Rice glutelin as the main component of rice protein has attracted extensive attention,while soybean 11 S globulin can be used as modifier to improve the quality of proteins.In this work,the interaction mechanism between rice glutelin and soybean 11 S globulin was assessed by multi-spectroscopy and molecular dynamics simulation.The formation and the change of secondary and tertiary structure of rice glutelin-soybean 11 S globulin complexes was confirmed by fluorescence,UV-vis and CD spectra.The α-helix and β-turn contents increased,the β-sheet content decreased and the random coil remained unchanged in the complexes,and the change of secondary structure was significantly correlated with particle size.Moreover,the exposure of hydrophobic groups and the formation of disulfide bonds existed in the interaction between rice glutelin and soybean 11 S globulin.Fluorescence spectra and molecular dynamics simulation showed that hydrophobic interaction and hydrogen bond were the dominant forces in the interaction,and Tyr-460,Gln-196,Gln-450,Ala-194,Leu-206,Arg-257,Asn-493,Hle-413,Arg-474,Asn-473 and Asn-458 residues which from rice glutelin played an important role in formed hydrogen bonds.Molecular dynamics simulation verified these experimental results from the point of root mean square deviation and fluctuation,hydrogen bond,secondary structure,and binding free energy analysis.This study provides new insights into the study of protein and protein interaction,which is important to improve the quality of proteins.更多还原