title: C-C bond formation and cleavage in radical enzymes, a theoretical perspective.
abstract: Quantum chemical methods are today a viable tool in the study of enzyme catalysis. The development of new density functional techniques and the enormous advancement in computer power have made it possible to accurately describe active sites of enzymes. This review gives a brief account of the methods and models used in this field. Three specific enzymes are discussed: pyruvate-formate lyase (PFL), spore photoproduct lyase (SPL), and benzylsuccinate synthase (BSS). What these enzymes have in common is that they use radical chemistry to catalyze C-C bond formation or cleavage reactions.
authors.affiliation: Theoretical Chemistry, Department of Biotechnology, Royal Institute of Technology, ALBANOVA, SE-106 91 Stockholm, Sweden. himo@theochem.kth.se
authors.forename: Fahmi
authors.initials: F
authors.lastname: Himo
mesh_terms: D000123:Acetyltransferases / Q000737:chemistry; D001665:Binding Sites; D019735:Carbon-Carbon Ligases / Q000737:chemistry*; D019755:Carbon-Carbon Lyases / Q000737:chemistry; D002384:Catalysis; D005609:Free Radicals / Q000737:chemistry*; D008190:Lyases / Q000737:chemistry*; D008956:Models, Chemical; D011506:Proteins / Q000737:chemistry
chemical_list: D005609:Free Radicals; D011506:Proteins; D000123:Acetyltransferases; C022560:formate C-acetyltransferase; D008190:Lyases; D019755:Carbon-Carbon Lyases; C114354:benzylsuccinate synthase; C088014:spore photoproduct lyase; D019735:Carbon-Carbon Ligases