Difference in the Mössbauer spectrum parameters and electron structure of active sites of non-equivalent subunits of tetrameric deoxyhemoglobin and deoxymyoglobin
Burykin, B.N.; Khleskov, V.I.; Oshtrakh, M.I.; Semenkin, V.A.
Molekuliarnaia Biologiia 21(6): 1677-1685
1987
ISSN/ISBN: 0026-8984 PMID: 3447053 Document Number: 304508
The calculations of the electronic structure of fifth-coordinated ferroporphyrin-imidazole complexes modeling alpha- and beta-subunits in desoxyhemoglobin and desoxymyoglobin are made using the interative extended Hückel method. The features of the electronic structure of the model complexes resulting from the stereochemical differences of the active site are studied and compared. Theoretical calculations of the Mössbauer parameters of model complexes are made and compared with experimental data. The results show that basic features of the Mössbauer parameters are qualitatively confirmed by the theoretical analysis. The necessity of the accounting of the stereochemical and electronic structure nonequivalence of nonidentical subunits in tetrameric desoxyhemoglobins during the Mössbauer spectra approximation is also confirmed.