The effects of protein environment on the low temperature electronic spectroscopy of cytochrome c and microperoxidase-11

Article Abstract:

Research was conducted to examine the low temperature UV-visible spectra of cytochrome c and microperoxidase-11 theoretically and experimentally via quantum chemical and Poisson-Boltzmann electrostatics models. At low temperature, spectral splitting in the Q(0,0) visible absorption band was observed in all the cytochromes c. An interpretation of the temperature dependence of the spectra was based on the coupling of the heme electronic transitions to low frequency vibrational modes and thermal expansion/contraction of the protein-solvent lattice.

Proteins, Porphyrins, Peroxidase

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The influence of protein environment on the low temperature electronic spectroscopy of Zn-substituted cytochrome c

Article Abstract:

Low-temperature UV-vis absorption and Stark-effect hole-burning spectra of Zn substituted cytochrome c are studied experimentally and theoretically using quantum mechanical and Poisson-Boltzmann electrostatics models. It is demonstrated that the magnitude of the low-temperature Q(0,0) band splitting observed in Zn substituted cyt c from horse heart, tuna heart, and yeast follows the same trend as in the native Fe(II) proteins.

Electric properties, Zinc

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A density functional theory study of conformers in the ferrous CO complex of horseradish peroxidase with distinct

Article Abstract:

The reactive site structure and CO IR spectral signature of horseradish peroxidase complexed with CO were studied using a combination of density functional theory and molecular modeling. The observed IR spectral features of CO as a function of pH and active site mutations could be interpreted primarily in terms of changes in CO and Fe-CO bond lengths produced by changes in active site composition and charge state.

Industrial Gas Manufacturing, Industrial gases, Carbon Dioxide, Usage, Optical properties, Density functionals, Density functional theory

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