Heme-based sensors: theoretical modeling of heme-ligand-protein interactions.
Heme-based sensors: theoretical modeling of heme-ligand-protein interactions.
复制标题
基于血红素的传感器：血红素-配体-蛋白质相互作用的理论模型。
DOI：
10.1016/s1367-5931(01)00271-x
复制
发表时间：
2001
影响因子：
7.8
通讯作者：
Jarzecki,AA
中科院分区：
文献类型：
--
作者：
Spiro,TG;Jarzecki,AA
血红素蛋白是唯一适合与重要的双原子分子O2、NO和CO结合的蛋白质。越来越多的血红素蛋白被发现，它们可以感知这些分子，从而调节各种生化反应。因此，双原子分子与血红素以及与周围蛋白质的相互作用引起了人们极大的兴趣。最近的理论模型，使用密度泛函理论，捕捉到了这些相互作用的许多特征，例如很好地表征了血红素蛋白肌红蛋白。然而，重要的细节，特别是结合的双原子分子和近端配体的相互影响，仍然有待阐明。
Heme proteins are uniquely adapted to bind the important diatomic molecules O2, NO and CO. An increasing number of heme proteins are being discovered that sense these molecules and thereby regulate a variety of biochemical responses. The interactions of diatomic molecules with heme, and with the surrounding protein, are therefore of great interest. Recent theoretical modeling, using density functional theory, captures many features of these interactions, as exemplified by the well-characterized heme protein myoglobin. Important details, however, especially the mutual influence of the bound diatomic molecule and the proximal ligand, remain to be clarified.