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Ying-Lu Cui, Ji-Long Zhang, Prof. Qing-Chuan Zheng, Rui-Juan Niu, Yu Xu, Prof. Hong-Xing Zhang and Chia-Chung Sun Structural and Dynamic Basis of Human Cytochrome P450 7B1: A Survey of Substrate Selectivity and Major Active Site Access Channels Chemistry - A European Journal 19

Version of Record online: 23 NOV 2012 | DOI: 10.1002/chem.201202627

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Finding the way: CYP7B1 is a steroid cytochrome P450 7α-hydroxylase that provides the primary metabolic routes for endogenous and exogenous substrates (see figure). In this study, analysis of binding free energy, total interaction energy, and access channels clearly identify the dominant access channels and critical residues that are responsible for ligand binding.

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