Functioning of drug-metabolizing microsomal cytochrome P450s: In silico probing of proteins suggests that the distal heme ‘active site’ pocket plays a relatively ‘passive role’ in some enzyme-substrate interactions
作者： Avanthika Venkatachalam , Abhinav Parashar , Kelath Murali Manoj
DOI: 10.1186/S40203-016-0016-7
关键词: Active site 、 Docking (molecular) 、 Pharmacology 、 Drug metabolism 、 Reactive intermediate 、 Enzyme 、 Biology 、 Cytochrome P450 、 Heme 、 Stereochemistry 、 Cytochrome
摘要: … modality employed for docking or mutations made (Table 13) … the heme distal pocket in the wild type and mutated 2A6/3A4. … Å away from the heme (and ~7 Å away from the distal pocket …
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