Article
Analysis of the complex formation, interaction and electron transfer pathway between the "open" conformation of NADPH-cytochrome P450 reductase and aromatase.
Steroids - 1 Sept 2015
Dai Yuejie, Zhen Jing, Zhang Xiuli, Zhong Yonghui, Liu Shaodan, Sun Ziyue, Guo Yue, Wu Qingli
Abstract excerpt
The complex structure of human aromatase (CYP19) and the open form of ΔTGEE mutant NADPH-cytochrome P450 reductase (mCPR) was constructed using template-based protein alignment method. Dynamic simulation of formed complex was performed on NAMD 2.9, in which CHARMm all 27_prot_lipid_na force field and an explicit TIP3P water solvent model were applied. The result showed mCPR in its open conformation could steadily...
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