动物抗凝血酶Ⅲ和褐藻糖胶结合的结构模拟

摘要

Fucoidan which belongs to sulfated polysaccharides has quite similar physiological effects to heparin.The complex of fucoidan and antithrombin Ⅲ is simulated through molecular dynamic calculation.When antithrombinⅢ is combined with fucoidan,the amino acid of Arg393 of antithrombin Ⅲ exposes themselves from the inner part to the outer and then Arg393 com-bines with Asp,His and Ser residues in the active site of thrombin into the tetrahedral transi-tional state.%褐藻糖胶是一种含有硫酸基的水溶性杂多糖,其抗凝血与抗血栓等生理机能与肝素类似。用分子动力学计算,模拟抗凝血酶Ⅲ结合褐藻糖胶的结构变化。抗凝血酶Ⅲ和褐藻糖胶结合时 Arg393从抗凝血酶Ⅲ的内部激发到了分子表面,Arg393与凝血酶活性中心的 Asp、His、Ser结合,继而进入到四面体的过渡状态。