腺苷酸激酶催化产物释放过程中的水化动力学研究

孔剑阳,李文飞,王炜

Hydration process in the product releasing of the enzymatic cycle of Adenylate Kinase

Jianyang Kong,Wenfei Li,Wei Wang

图5 (a,b) DD态(a)和TD态(b)下，与蛋白质底物/产物结合位点关键氨基酸结合的水分子数目；(c,d) DD态(c)和TD态(d)下，与底物/产物分子结合的水分子数目；(e,f) DD态和TD态下，LID?core结构域质心距离(e)和NMP?core结构域质心距离(f)变化.

Fig.5 Number of $H_{2} O$ coordinating with binding sites in the chemical state of DD (a) and TD (b) state, number of $H_{2} O$ coordinating with substrate/product in the chemical state of DD (c) and TD (d) state，LID?core distance (e) and NMP?core distance(f)