Spin-resolved X-ray absorption near edge structure (XANES) simulation of metmyoglobin

European Biophysics Journal

Volumn 27, Issue 6, 1998, Pages 541-548

  Della Longa, S ^a   Girasole, M ^b   Congiu Castellano, A ^b   Bianconi, A ^b   Kovtun, A P ^c   Soldatov, A V ^c  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c SOUTHERN FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

Hemoproteins; Multiple scattering; Synchrotron radiation

Indexed keywords

FERRIC ION; HEME; MANGANESE; METMYOGLOBIN;

ARTICLE; NONHUMAN; PROTEIN STRUCTURE; RADIATION SCATTERING; SYNCHROTRON; TEMPERATURE; WHALE; X RAY SPECTROMETRY;

EID: 0031669281     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002490050164     Document Type: Article

References (29)

1. Beetlestone J. George P (1964) A magnetical study of equilibria between high and low spin states of metmyoglobin complexes. Biochemistry 3: 707-714
2. Bianconi A, Congiu Castellano A. Dell'Ariccia M, Durham PJ, Burattini E, Barteri M (1984) XANES study of iron displacement in the haem of myoglobin. FEBS Letters 178: 165-170
3. Bianconi A, Congiu Castellano A, Durham PJ, Hasnain SS, Phillips S (1985a) The CO bond angle of carboxymyoglobin determined by angular-resolved XANES spectroscopy. Nature 318: 685-687
4. Bianconi A. Congiu Castellano A, Dell'Ariccia M. Giovannelli A, Morante S (1985b) Constraints of T conformation of carp azide hemoglobin on Fe site structure. FEBS Letters 191: 241-244
5. Bianconi A (1989) XANES spectroscopy. In: Prinz R, Koningsberger D (eds) X ray absorption: principles, applications and techniques of EXAFS, SEXAFS and XANES. Wiley, New York, pp 573-653
6. Bratkovsky AM, Rashkeev SN, Smirnov AV, Wendin G (1994) Universality in electronic structure and EELS spectra of FeB and NiB crystalline and amorphous systems. Europhys Lett 26: 43-49
7. Champion PM (1989) Resonance Raman and site-directed mutagenesis studies of myoglobin dynamics. In: Jardetzky O (ed) Protein structure and engineering. Plenum Press. New York, pp 347-354
8. Della Longa S, Bianconi A, Palladino L, Simonelli B, Congiu Castellano A, Borghi E, Barteri M, Beltramini M, Rocco GP, Salvato B, Bubacco L, Magliozzo RS, Peisach J (1993) A XANES study of metal coordination in Co(II)-substituted Carcinus maenas hemocyanin. Biophys J 65: 2680-2691
9. Della Longa S, Soldatov A, Pompa M, Bianconi A (1995) Atomic and electronic structure probed by X-ray absorption spectroscopy: full multiple scattering analysis with the G4XANES package. Computational Mat Sci 4: 199-210
10. Durham P, Pendry JB, Hodges CH (1982) Calculation of X-ray absorption near edge structure. XANES. Comput Phys Commun 25: 193-200
11. Eisenberger P, Shulman RG, Kincaid BM, Brown GS, Ogawa S (1978) Extended X-ray absorption fine structure determination of iron nitrogen distances in haemoglobin. Nature 274: 30-34
12. Evans SV, Brayer GD (1990) High resolution study of the three dimensional structure of horse heart metmyoglobin. J Mol Biol 213: 885-897
13. Garcia-Vidal FJ, Merino J, Perez R, Rincon R, Ortega J, Flores F (1994) Density-functional approach to LCAO methods. Phys Rev B 50: 10537-10547
14. Gubskii AL, Kovtun AP, Khanin SD (1987) Cluster modeling of the electron structure in amorphous tantalum pentoxide. Sov Phys Solid State 29: 611-616
15. 2. Phys Rev B46: 14274-14277
16. Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev 136: 864-871
17. Hong MK, Braunstein D, Cowen BR, Frauenfelder H, Iben IET, Mourant JR, Ormos P, Scholl R, Schulte A, Steinbach PJ, Xie A, Young RD (1990) Conformational substates and motions in myoglobin. Biophys J 58: 429-436
18. Johnson H, Smith FC (1972) Chemical bonding of a molecular transition-metal ion in a crystalline environment. Phys Rev B5: 831-843
19. Noble RW, De Young A, Di Iorio EE, Winterhalter KH, Cerdonio M, Morante S, Vitale S (1983) Quaternary structure and spin equilibria in ferric hemoglobins. A room temperature study. Eur J Biochem 133: 475-478
20. Oyanagi H, Iizuka T, Matsushita T, Saigo S, Makino R, Ishimura Y, Ishiguro T (1987) Local structure of heme-iron studied by high-resolution XANES; thermal spin equilibrium in myoglobin. J Phys Soc Jpn 56: 3381-3388
21. Parak F, Hartmann H, Aumann KD, Reuscher H, Rennekamp G, Bartunik H, Steigemann W (1987) Low temperature X-ray investigation of structural distributions in myoglobin. Eur Biophys J 15: 237-249
22. Perutz MF, Sanders JKM, Chenery DH, Noble RW, Pennelly RR, Fung LWM, Ho C, Giannini I, Porschke D, Winkler H (1978) Interactions between the quaternary structure of the globin and thespin state of the heme in ferric mixed spin derivatives of hemoglobin. Biochemistry 17: 3640-3651
23. Pin S, Alpert B, Congiu Castellano A, Della Longa S, Bianconi A (1994) X-ray absorption spectroscopy of hemoglobin. Methods Enzymol 232: 266-292
24. Saigo S, Hashimoto H, Shibayama N, Nomura M, Nagamura T (1993) X-ray absorption spectroscopic study of a transient intermediate in the reaction of cyanide metmyoglobin with dithionite by using rapid freezing. Biochim Biophys Acta 1202: 99-106
25. Scheidt WR, Reed CA (1981) Spin-state/stereochemical relationships in iron porphyrins: implications for the hemoproteins. Chem Rev 81: 543-555
26. Slater JC (1974) Self consistent field for molecules and solids. McGraw-Hill, New York
27. 2: full multiple scattering analysis. Phys Rev B52: 11757-11762
28. Takano T (1977) Structure of myoglobin refined at 2.0 A resolution. J Mol Biol 110: 537-568
29. Westre TE, Loeb KE, Zaleski JM, Hedman B, Hodgson KO, Solomon EI (1995) Determination of the geometric and electronic structure of activated bleomycin using X-ray absorption spectroscopy. J Am Chem Soc 117: 1309-1313