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PDBsum entry 1akk
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Electron transport
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PDB id
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1akk
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References listed in PDB file
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Key reference
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Title
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Solution structure of oxidized horse heart cytochrome c.
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Authors
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L.Banci,
I.Bertini,
H.B.Gray,
C.Luchinat,
T.Reddig,
A.Rosato,
P.Turano.
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Ref.
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Biochemistry, 1997,
36,
9867-9877.
[DOI no: ]
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PubMed id
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Abstract
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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 A and 1.21 +/- 0.14 A 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 A2 and 0.2 A2), 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
degrees 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.
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