Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts.

نویسندگان

  • Claudia Vicari
  • Ivo H Saraiva
  • Ornella Maglio
  • Flavia Nastri
  • Vincenzo Pavone
  • Ricardo O Louro
  • Angela Lombardi
چکیده

An empirical equation, describing the relationship between the porphyrin methyl hyperfine shifts and the position of the axial ligand(s), has been applied to an artificial heme-protein in order to obtain insight into the active site properties of heme-protein models.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Protein structure refinement based on paramagnetic NMR shifts: applications to wild-type and mutant forms of cytochrome c.

A new approach to NMR solution structure refinement is introduced that uses paramagnetic effects on nuclear chemical shifts as constraints in energy minimization or molecular dynamics calculations. Chemical shift differences between oxidized and reduced forms of horse cytochrome c for more than 300 protons were used as constraints to refine the structure of the wild-type protein in solution and...

متن کامل

Orientation of the axial ligands and magnetic properties of the hemes in the cytochrome c7 family from Geobacter sulfurreducens determined by paramagnetic NMR.

Geobacter sulfurreducens is a sediment bacterium that contains a large number of multiheme cytochromes. The family of five c(7) triheme periplasmic cytochromes from Geobacter sulfurreducens shows structural diversity of the heme core. Structural characterization of the relative orientation of the axial ligands of these proteins by (13)C-paramagnetic NMR was carried out. The structures in soluti...

متن کامل

Nuclear magnetic resonance of hemeprotein crystals. Structure of the heme in Physeter catodon ferrimyoglobin and an analysis of hyperfine shifts.

We report the observation of deuterium Fourier transform NMR spectra (obtained by the quadrupole echo method at 8.5 Tesla, corresponding to a 2H resonance frequency of 55.3 MHz) of [meso-alpha, beta, gamma, delta-2H4], [methyl-1,3-2H6], and [methylene-6,7-b-2H4]heme-labeled aquoferrimyoglobin microcrystals (in approximately 90% saturated (NH4)2SO4 at pH 6.8) from Physeter catodon, using the met...

متن کامل

The Conformational Effect of 6-Mono-Substituted and 6,7-Di-Substituted Derivatives of 5,6,7,8-Tetrahydrodibenzo[a,c]cyclo-octene on 13C Chemical Shift

Hartree-Fock (HF) and Density Functional Theory (DFT) methods employed to study the effect of conformational change on the 13C chemical shifts of 6-mono axial and equatorial substituted and 6,7-di axial-axial, equatorial-equatorial and axial-equatorial substitutedderivatives of 5,6,7,8-tetrahydrodibenzo[a,c]cyclo-octene. The geometry of the conformers have been optimized...

متن کامل

Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design.

This chapter discusses recent progress in the investigation and use of (13)C, (15)N, and (19)F nuclear magnetic resonance (NMR) chemical shifts and chemical shift tensors in proteins and model systems primarily using quantum chemical (ab initio Hartree-Fock and density functional theory) techniques. Correlations between spectra and structure are made and the techniques applied to other spectros...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Chemical communications

دوره 50 29  شماره 

صفحات  -

تاریخ انتشار 2014