title: The first supramolecular orthovanadate receptor -- structural mimics of vanadium haloperoxidase.
abstract: Tris(2-guanidinium-ethyl)amine (1) was prepared as a supramolecular receptor of hydrogen orthovanadate (HVO(4)(2-)) to mimic the active site of vanadium haloperoxidase (V-HPO). Both (1)H and (51)V NMR titration indicated 1:1 complex (5) formation between (1) with HVO(4)(2-) with a binding constant of 1.1 x 10(3) M(-1). Similar as V-HPO, a UV band at 307 nm was observed upon binding of HVO(4)(2-) to (1). According to DFT calculations UV transitions >300 nm observed for both the enzyme and its mimic are due to V-N interactions.
authors.affiliation: Department of Chemistry, University of Basel, St. Johanns-Ring 19, 4056 Basel, Switzerland.
authors.forename: Xiao-An
authors.initials: XA
authors.lastname: Zhang
authors.forename: Markus
authors.initials: M
authors.lastname: Meuwly
authors.forename: Wolf-D
authors.initials: WD
authors.lastname: Woggon
mesh_terms: D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D010544:Peroxidases / Q000737:chemistry*; D011487:Protein Conformation; D011955:Receptors, Drug / Q000737:chemistry*; D013329:Structure-Activity Relationship; D014638:Vanadates / Q000737:chemistry*
chemical_list: D011955:Receptors, Drug; D014638:Vanadates; D010544:Peroxidases; C026195:bromide peroxidase