Comparative quantum-chemical analysis of the electronic structure and mössbauer parameters of the active site models for deoxymyoglobin and α- and β-subunits of tetrameric deoxyhemoglobin / Khleskov V.I., Burykin B.N., Smirnov A.B., Oshtrakh M.I. // Biochemical and Biophysical Research Communications. - 1988. - V. 155, l. 3. - P. 1255-1260.

ISSN:

0006291X

Type:

Article

Abstract:

The results of iterative extended Huckel calculations of the electronic structure of the penta-coordinated Fe(II)-porphyn-imidazole complexes as models for deoxymyoglobin and α- and β-subunits of tetrameric deoxyhemoglobin are presented. Temperature dependences of the Fe-57 nuclei quadrupole splitting and isomer shift for deoxymyoglobin and α- and β-subunits of tetrameric deoxyhemoglobin models were calculated taking into account the spin-orbit coupling between ground and low-lying Fe(II) high spin terms. The results show that the electronic structure and Mössbauer parameters are sensitive to the stereochemical differences of the active sites in deoxymyoglobin and α- and β-subunits of tetrameric deoxyhemoglobin. © 1988 Academic Press, Inc.

Author keywords:

Index keywords:

deoxyhemoglobin; hemoglobin; iron; myoglobin; deoxymyoglobin; human; human cell; mossbauer spectroscopy; normal human; priority journal; quantum chemistry; Binding Sites; Hemoglobin A; Hemoglobins; Is

DOI:

10.1016/S0006-291X(88)81275-0

Смотреть в Scopus:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0023740476&doi=10.1016%2fS0006-291X%2888%2981275-0&partnerID=40&md5=7dc8cac5b0a653ecfc289b644f6925c5

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Другие поля

Поле	Значение
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-0023740476&doi=10.1016%2fS0006-291X%2888%2981275-0&partnerID=40&md5=7dc8cac5b0a653ecfc289b644f6925c5
Affiliations	Institute of Biophysics, Ministry of Health, Moscow, 123182, Russian Federation; Division of Applied Biophysics, Ural Polytechnical Institute, Sverdlovsk, 620002, Russian Federation
Chemicals/CAS	hemoglobin, 9008-02-0; iron, 14093-02-8, 53858-86-9, 7439-89-6; deoxyhemoglobin, 9008-02-0; deoxymyoglobin; Hemoglobin A, 9034-51-9; Hemoglobins; Macromolecular Systems; Myoglobin
References	Phillips, (1980) J. Mol. Biol., 142, pp. 531-537; Fermi, Perutz, Shaanan, Fourme, (1984) J. Mol. Biol., 175, pp. 159-174; Eicher, Bade, Parak, (1976) J. Chem. Phys., 64, pp. 1446-1455; Trautwein, Bill, (1981) Transition Met. Chem., Proc. Workshop, p. 239. , 1980, Verlag Chimie, New York; Trautwein, Alpert, Maeda, Marcolin, (1976) J. Phys. (Paris), 37, p. C; Huynh, Papaefthymiou, Yen, (1974) J. Chem. Phys., 61, pp. 3750-3758; Oshtrakh, Semionkin, (1985) Mol. Biol. (USSR), 19, pp. 1310-1320; Khleskov, (1986) Zh. Struct. Khim. (USSR), 27, pp. 172-173; Zerner, Gouterman, (1966) Theoret. Chim. Acta, 4, pp. 44-63; Case, Huynh, Karplus, (1979) J. Am. Chem. Soc., 101, pp. 4433-4453; Burykin, Khleskov, (1986) Programs for calculations of the 57-Fe Mössbauer spectra parameters, pp. 1-45. , (Deposited in VINITI, No 1799-B86), (USSR); Kent, Spartalian, Lang, Yonetani, (1977) Biochim. et Biophys. Acta, 490, pp. 331-340
Correspondence Address	Khleskov, V.I.; Institute of Biophysics, Ministry of Health, Moscow, 123182, Russian Federation
CODEN	BBRCA
PubMed ID	3178806
Language of Original Document	English
Abbreviated Source Title	Biochem. Biophys. Res. Commun.
Source	Scopus