The effects of atropisomerism and porphyrin deformation on 57Fe shieldings in superstructured hemoprotein models.

57Fe NMR chemical shifts of superstructured heme model compounds have been found to be extremely sensitive to atropisomerism and deformation (ruffling) of the porphyrin geometry.

[1]  J. Fischer,et al.  Structure-Reactivity Relationship in Oxygen and Carbon Monoxide Binding with Some Heme Models , 1994 .

[2]  E. Oldfield,et al.  Iron-57 nuclear magnetic resonance spectroscopic study of alkyl isocyanide myoglobins and a comparison of the 57Fe chemical-shift anisotropies of alkyl isocyanide myoglobins, carbonmonoxymyoglobin, ferrocytochrome c, and [57Fe(bipy)3]X2 · 5H2O (X Cl, Br, I) , 1990 .

[3]  L. Baltzer,et al.  sup 57 Fe nuclear magnetic resonance chemical shifts of hindered iron porphyrins. Ruffling as a possible mechanism for d-orbital energy level inversion , 1990 .

[4]  P. Emsley,et al.  Stereochemistry of carbon monoxide binding to normal human adult and Cowtown haemoglobins. , 1990, Journal of molecular biology.

[5]  M Karplus,et al.  X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 A resolution. , 1986, Journal of molecular biology.

[6]  H. Osten,et al.  Applications of the reduced isotope shift to general estimation of one-bond isotope shifts in NMR , 1985 .

[7]  E. Oldfield,et al.  Iron-57 nuclear magnetic resonance spectroscopic study of carbonmonoxymyoglobin , 1985 .

[8]  O. Gansow,et al.  Iron-57 NMR: relaxation mechanisms and chemical shifts , 1984 .

[9]  P. Carmona,et al.  Spectroscopy of Biological Molecules: Modern Trends , 1997, Springer Netherlands.

[10]  J. Fettinger,et al.  Structural characterization of a sterically encumbered iron(II) porphyrin CO complex , 1989 .

[11]  I. Gerothanassis.  Methods of avoiding the effects of acoustic ringing in pulsed fourier transform nuclear magnetic resonance spectroscopy , 1987 .

[12]  L. Baltzer,et al.  57 Fe N.m.r. spectroscopy of carbonyl iron porphyrins. A new probe for heme–ligand interactions , 1987 .

[13]  M. Momenteau,et al.  Crystal and molecular structure of a highly hindered iron(II) porphyrin complex , 1986 .

[14]  O. Gansow,et al.  57 Fe n.m.r. spectroscopy of heme proteins: chemical shift anisotropy and relaxation parameters of carbonylmyoglobin , 1985 .

[15]  J. I. Brauman,et al.  Synthesis and characterization of the "pocket" porphyrins , 1983 .