1akk
From Proteopedia
(New page: 200px<br /><applet load="1akk" size="450" color="white" frame="true" align="right" spinBox="true" caption="1akk" /> '''SOLUTION STRUCTURE OF OXIDIZED HORSE HEART C...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:1akk.jpg|left|200px]]<br /><applet load="1akk" size=" | + | [[Image:1akk.jpg|left|200px]]<br /><applet load="1akk" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1akk" /> | caption="1akk" /> | ||
'''SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE'''<br /> | '''SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The solution structure of oxidized horse heart cytochrome c was obtained | + | 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. |
==About this Structure== | ==About this Structure== | ||
| - | 1AKK is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Equus_caballus Equus caballus] with HEC as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 1AKK is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Equus_caballus Equus caballus] with <scene name='pdbligand=HEC:'>HEC</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AKK OCA]. |
==Reference== | ==Reference== | ||
| Line 15: | Line 15: | ||
[[Category: Banci, L.]] | [[Category: Banci, L.]] | ||
[[Category: Bertini, I.]] | [[Category: Bertini, I.]] | ||
| - | [[Category: Gray, H | + | [[Category: Gray, H B.]] |
[[Category: Luchinat, C.]] | [[Category: Luchinat, C.]] | ||
[[Category: Reddig, T.]] | [[Category: Reddig, T.]] | ||
| Line 24: | Line 24: | ||
[[Category: electron transport]] | [[Category: electron transport]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:45:31 2008'' |
Revision as of 09:45, 21 February 2008
|
SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE
Overview
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.
About this Structure
1AKK is a Single protein structure of sequence from Equus caballus with as ligand. Full crystallographic information is available from OCA.
Reference
Solution structure of oxidized horse heart cytochrome c., Banci L, Bertini I, Gray HB, Luchinat C, Reddig T, Rosato A, Turano P, Biochemistry. 1997 Aug 12;36(32):9867-77. PMID:9245419
Page seeded by OCA on Thu Feb 21 11:45:31 2008
