Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol

The bacterial Cytochrome P450 (CYP) BM3 (CYP102A1) is one of the most active CYP isoforms. BM3 mutants can serve as a model for human drug-metabolizing CYPs and/or as biocatalyst for selective formation of drug metabolites. Hence, molecular and computational biologists have in the last two decades s...

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Veröffentlicht in:	PloS one 2019-05, Vol.14 (5), p.e0217292
Hauptverfasser:	Frydenvang, Karla, Verkade-Vreeker, Marlies C A, Dohmen, Floor, Commandeur, Jan N M, Rafiq, Maria, Mirza, Osman, Jørgensen, Flemming Steen, Geerke, Daan P
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Substitution Bacterial Proteins - chemistry Bacterial Proteins - genetics Bacterial Proteins - metabolism Biochemistry Biology and Life Sciences Chemistry Computer applications Computer simulation Coordination compounds Crystal structure Crystallization Crystallography, X-Ray Cytochrome Cytochrome P-450 Cytochrome P-450 Enzyme System - chemistry Cytochrome P-450 Enzyme System - genetics Cytochrome P-450 Enzyme System - metabolism Cytochrome P450 Cytochromes P450 Design optimization Digital television Dithiothreitol Dithiothreitol - chemistry Dithiothreitol - metabolism Drug Design Drug metabolism Dynamic structural analysis EDTA Enzymes Glycerol Heme Heme - chemistry Humans Hydroxyapatite Isoforms Ligands Medicine and Health Sciences Metabolites Molecular dynamics Molecular Dynamics Simulation Mutagenesis, Site-Directed Mutants Mutation NADPH-Ferrihemoprotein Reductase - chemistry NADPH-Ferrihemoprotein Reductase - genetics NADPH-Ferrihemoprotein Reductase - metabolism Novels Pharmaceutical Preparations - metabolism Pharmaceutical sciences Pharmacology Physical Sciences Protein Conformation Protein Domains Protein Engineering Proteins Recombinant Proteins - chemistry Recombinant Proteins - genetics Recombinant Proteins - metabolism Research and Analysis Methods Selectivity Spectroscopy Structural analysis Substrate Specificity Substrates Sulfur Thiols Toxicology
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