Solvent isotope effects in the catalytic cycle of P450 CYP17A1: Computational modeling of the hydroxylation and lyase reactions

Keyphrases

• Catalytic Cycle 100%
• Computational Modeling 100%
• P450 100%
• Hydroxylation 100%
• Lyase 100%
• CYP17A1 100%
• Solvent Isotope Effect 100%
• Catalytic Intermediates 60%
• Protonation 40%
• Heme 40%
• Cytochrome P450 (CYP450) 40%
• Proton 20%
• Two-electron 20%
• Rate Limiting 20%
• Anions 20%
• Redox Couple 20%
• Steady-state Rate 20%
• Steady-state Kinetics 20%
• Ferryl 20%
• Oxo Complexes 20%
• Numerical Modeling 20%
• P450s 20%
• Peroxo 20%
• Reaction Cycle 20%
• Pure Compounds 20%
• Deuterated Solvents 20%
• Catalyzed Reaction 20%
• Mechanistic Probes 20%
• Kinetic Solvent Isotope Effect 20%
• Porphyrin Ring 20%
• P450 System 20%
• Inverse Isotope Effect 20%
• Inverse Kinetics 20%

Biochemistry, Genetics and Molecular Biology

• Steady State 100%
• Protonation 100%
• Cytochrome P450 100%
• Hydroxylation 100%
• Lyase 100%
• CYP17A1 100%
• Porphyrin 50%