Channeling by Proximity: The Catalytic Advantages of Active Site Colocalization Using Brownian Dynamics.
Channeling by Proximity: The Catalytic Advantages of Active Site Colocalization Using Brownian Dynamics.
复制标题
DOI：
10.1021/jz1002007
复制
发表时间：
2010-05-06
期刊：
影响因子：
--
通讯作者：
McCammon JA
中科院分区：
文献类型：
--
作者：
Bauler P;Huber G;Leyh T;McCammon JA
Nature often colocalizes successive steps in a metabolic pathway. Such organization is predicted to increase the effective concentration of pathway intermediates near their recipient active sites and to enhance catalytic efficiency. Here, the pathway of a two-step reaction is modeled using a simple spherical approximation for the enzymes and substrate particles. Brownian dynamics are used to simulate the trajectory of a substrate particle as it diffuses between the active site zones of two different enzyme spheres. The results approximate distances for the most effective reaction pathways, indicating that the most effective reaction pathway is one in which the active sites are closely aligned. However, when the active sites are too close, the ability of the substrate to react with the first enzyme was hindered, suggesting that even the most efficient orientations can be improved for a system that is allowed to rotate or change orientation to optimize the likelihood of reaction at both sites.
登录
查看更多内容
影响因子：
4.4
作者：
ERMAK, DL;MCCAMMON, JA
通讯作者：
MCCAMMON, JA
影响因子：
2
作者：
Erban, Radek;Chapman, S. Jonathan
通讯作者：
Chapman, S. Jonathan
影响因子：
--
作者：
Shaw-Reid, CA;Kelleher, NL;Walsh, CT
通讯作者：
Walsh, CT
影响因子：
4.4
作者：
NORTHRUP, SH;ALLISON, SA;MCCAMMON, JA
通讯作者：
MCCAMMON, JA
影响因子：
6.8
作者：
Leibundgut, Marc;Maier, Timm;Ban, Nenad
通讯作者：
Ban, Nenad