The role of protein plasticity in computational rationalization studies on regioselectivity in testosterone hydroxylation by cytochrome P450 BM3 mutants

Current Drug Metabolism

Volumn 13, Issue 2, 2012, Pages 155-166

  De Beer, Stephanie B A ^a   Van Bergen, Laura A H ^a   Keijzer, Karlijn ^a   Rea, Vanina ^a   Venkataraman, Harini ^a   Guerra, Célia Fonseca ^a   Bickelhaupt, F Matthias ^a   Vermeulen, Nico P E ^a   Commandeur, Jan N M ^a   Geerke, Daan P ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Cytochrome P450 BM3; Docking; Intrinsic reactivity; Molecular dynamics simulations; Protein Plasticity; Regioselectivity; Structural rationalization; Testosterone

Indexed keywords

CYTOCHROME P450 BM3; TESTOSTERONE;

ARTICLE; CONFORMATIONAL TRANSITION; ENERGY COST; HIGH THROUGHPUT SCREENING; HORMONE BINDING; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; STEROID HYDROXYLATION;

BACTERIAL PROTEINS; CYTOCHROME P-450 ENZYME SYSTEM; HYDROXYLATION; MOLECULAR DYNAMICS SIMULATION; MUTATION; NADPH-FERRIHEMOPROTEIN REDUCTASE; PROTEIN CONFORMATION; SUBSTRATE SPECIFICITY; TESTOSTERONE;

EID: 84857528827     PISSN: 13892002     EISSN: 18755453     Source Type: Journal    
DOI: 10.2174/138920012798918471     Document Type: Article

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