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Solution Structure of Oxidized Horse Heart Cytochrome c

Banci, Lucia and Bertini, Ivano and Gray, Harry B. and Luchinat, Claudio and Reddig, Tim and Rosato, Antonio and Turano, Paola (1997) Solution Structure of Oxidized Horse Heart Cytochrome c. Biochemistry, 36 (32). pp. 9867-9877. ISSN 0006-2960. doi:10.1021/bi970724w.

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The solution structure of oxidized horse heart cytochrome c was obtained at pH 7.0 in 100 mM phosphate buffer from 2278 NOEs and 241 pseudocontact shift constraints. The final structure was refined through restrained energy minimization. A 35-member family, with RMSD values with respect to the average structure of 0.70 ± 0.11 Å and 1.21 ± 0.14 Å for the backbone and all heavy atoms, respectively, and with an average penalty function of 130 ± 4.0 kJ/mol and 84 ± 3.7 kJ/mol for NOE and pseudocontact shift constraints, respectively (corresponding to a target function of 0.9 Å^2 and 0.2 Å^2), was obtained. The solution structure is somewhat different from that recently reported (Qi et al., 1996) and appears to be similar to the X-ray structure of the same oxidation state (Bushnell et al., 1990). A noticeable difference is a rotation of 17 ± 8° of the imidazole plane between solid and solution structure. Detailed and accurate structural determinations are important within the frame of the current debate of the structural rearrangements occurring upon oxidation or reduction. From the obtained magnetic susceptibility tensor a separation of the hyperfine shifts into their contact and pseudocontact contributions is derived and compared to that of the analogous isoenzyme from S. cerevisiae and to previous results.

Item Type:Article
Related URLs:
URLURL TypeDescription Information
Gray, Harry B.0000-0002-7937-7876
Turano, Paola0000-0002-7683-8614
Additional Information:© 1997 American Chemical Society. Received March 27, 1997; Revised Manuscript Received May 27, 1997. Publication Date (Web): August 12, 1997. This work was supported by the EC BIOMED program (contract CT BMH4-CT96-1492) and by Italian CNR (Tecnologie Chimiche Innovative; contract 96.00802CT03). We thank Peter Güntert for the helpful discussions on the DYANA program.
Funding AgencyGrant Number
European CommunityCT BMH4-CT96-1492
Consiglio Nazionale delle Ricerche (CNR)96.00802CT03
Issue or Number:32
Record Number:CaltechAUTHORS:20170919-152344788
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Official Citation:Solution Structure of Oxidized Horse Heart Cytochrome c. Lucia Banci, Ivano Bertini, Harry B. Gray, Claudio Luchinat, Tim Reddig, Antonio Rosato, and Paola Turano. Biochemistry 1997 36 (32), 9867-9877. DOI: 10.1021/bi970724w
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:81589
Deposited By: Tony Diaz
Deposited On:19 Sep 2017 22:39
Last Modified:15 Nov 2021 19:44

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