title: Syntheses and structures of M(L)(X)BPh4 complexes (M = Co(II), Zn(II); L = cis-1,3,5-tris[3-(2-furyl)prop-2-enylideneamino]cyclohexane, X = OAc, NO3) n: structural models of the active site of carbonic anhydrase.
abstract: The metal coordination geometries in the structures of the zinc(II) and cobalt(II) complexes of the ligand cis-1,3,5-tris[3-(2-furyl)prop-2-enylideneamino]cyclohexane (fr-protach) and with the anions nitrate and acetate are structural models for the active site of carbonic anhydrase. The acetate structures show a striking structural correlation with the metal coordination environments in the known bicarbonate forms of the enzyme. Such structures provide a basis for understanding the marked effect of different metal substitution on the catalytic rate of the enzyme.
authors.forename: L
authors.initials: L
authors.lastname: Cronin
authors.forename: S P
authors.initials: SP
authors.lastname: Foxon
authors.forename: P J
authors.initials: PJ
authors.lastname: Lusby
authors.forename: P H
authors.initials: PH
authors.lastname: Walton
mesh_terms: D000085:Acetates; D024402:Carbonic Anhydrase II / Q000737:chemistry* / Q000378:metabolism*; D002625:Chemistry, Organic / Q000379:methods; D003035:Cobalt / Q000737:chemistry; D018360:Crystallography, X-Ray; D003510:Cyclohexanes / Q000737:chemistry*; D019281:Dimerization; D005663:Furans / Q000737:chemistry*; D006801:Humans; D018716:Molecular Mimicry; D009566:Nitrates; D017550:Spectroscopy, Fourier Transform Infrared; D015032:Zinc / Q000737:chemistry
chemical_list: C441819:1,3,5-tris(3-(2-furyl)prop-2-enylideneamino)cyclohexane; D000085:Acetates; D003510:Cyclohexanes; D005663:Furans; D009566:Nitrates; D003035:Cobalt; D024402:Carbonic Anhydrase II; D015032:Zinc