title: Dioxygen activation by mononuclear copper enzymes: insights from a tripodal ligand mimicking their Cu(M) coordination sphere.
abstract: A mononuclear cuprous complex is proposed as a novel in silico model for the Cu(M) active site of noncoupled copper monooxygenases. To the best of our knowledge, it is one of the first biomimicking models that allows one to recover the intimate structural features of the enzymatic oxygenated adducts and to gain clear-cut insights relevant to dioxygen activation by these enzymes.
authors: UPMC Université Paris 6 and CNRS, UMR 7616, Laboratoire de Chimie Théorique, 4 place Jussieu, 75252 Paris Cedex 05, France. delaland@ucalgary.ca
authors: Aurélien
authors: A
authors: de la Lande
authors: Dennis
authors: D
authors: Salahub
authors: Vicent
authors: V
authors: Moliner
authors: Hélène
authors: H
authors: Gérard
authors: Jean-Philip
authors: JP
authors: Piquemal
authors: Olivier
authors: O
authors: Parisel
mesh_terms: D040761:Biomimetic Materials / Q000737:chemistry*; D003300:Copper / Q000737:chemistry* / Q000378:metabolism; D018360:Crystallography, X-Ray; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D010100:Oxygen / Q000737:chemistry* / Q000378:metabolism; D010105:Oxygenases / Q000737:chemistry* / Q000378:metabolism; D017434:Protein Structure, Tertiary
chemical_list: D008024:Ligands; D003300:Copper; D010105:Oxygenases; D010100:Oxygen