桃小食心虫化学感受蛋白CSP16配体结合特性

刘孝贺,仇贵生,佟兆国,张怀江,闫文涛,岳强,孙丽娜

Ligands Binding Characteristics of Chemosensory Protein CsasCSP16 of Carposina sasakii

XiaoHe LIU,GuiSheng QIU,ZhaoGuo TONG,HuaiJiang ZHANG,WenTao YAN,Qiang YUE,LiNa SUN

表3 主要残基对结合自由能的贡献

Table 3 Binding energy contributions of some main residues

气味分子 Volatile ligand 相互作用能 Interaction energy (kJ·mol-1) 范围 Range (>2.0 ) 范围 Range (-1.0—-3.0 ) 范围 Range (-3.0—-5.0) 范围 Range (<-5.0 ) 水杨酸甲酯 Methyl salicylate Tyr28, Gln64, Thr68 Leu45, Ala52, Cys57, Cys60, Val71 - Ile49 6-甲基-5-庚烯-2酮 6-methyl-5-hepten-2-one Arg50 Met32, Ile49, Leu53, Ile72, Leu75, Trp83, Leu86, Thr87, Tyr96, Val 97, Tyr100 Thr90 - 十五烷 Pentadecane Asp91, His94 Leu15, Ile18, Leu19, Met32, Leu45, Leu53, Leu75, Trp83, Leu86, Thr87, Tyr96, Val97 Ile72, Tyr90 Ile49, Val71 庚酸丁酯 Butyl heptanoate - Leu15, Leu25, Ile29, Met32, Leu45, Leu53, Cys57, Thr68, Val71, Trp83, Leu86, Val97, Tyr100 Ile72, Tyr90 Ile49