2pac: Difference between revisions

Revision as of 19:27, 21 February 2008

SOLUTION STRUCTURE OF FE(II) CYTOCHROME C551 FROM PSEUDOMONAS AERUGINOSA AS DETERMINED BY TWO-DIMENSIONAL 1H NMR

OverviewOverview

The solution structure of Fe(II) cytochrome c551 from Pseudomonas aeruginosa based on 2D 1H NMR data is reported. Two sets of structure calculations were completed with a combination of simulated annealing and distance geometry calculations: one set of 20 structures included the heme-peptide covalent linkages, and one set of 10 structures excluded them. The main-chain atoms were well constrained within the two structural ensembles (1.30 and 1.35 A average RMSD, respectively) except for two regions spanning residues 30-40 and 60-70. The results were essentially the same when global fold comparisons were made between the ensembles with an average RMSD of 1.33 A. In total, 556 constraints were used, including 479 NOEs, 53 volume constraints, and 24 other distances. This report represents the first solution structure determination of a heme protein by 2D 1H NMR and should provide a basis for the application of these techniques to other proteins containing large prosthetic groups or cofactors.

About this StructureAbout this Structure

2PAC is a Single protein structure of sequence from Pseudomonas aeruginosa with as ligand. Full crystallographic information is available from OCA.

ReferenceReference

Solution structure of Fe(II) cytochrome c551 from Pseudomonas aeruginosa as determined by two-dimensional 1H NMR., Detlefsen DJ, Thanabal V, Pecoraro VL, Wagner G, Biochemistry. 1991 Sep 17;30(37):9040-6. PMID:1654086

Page seeded by OCA on Thu Feb 21 18:27:40 2008

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OCA

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-[[Image:2pac.jpg|left|200px]]<br /><applet load="2pac" size="450" color="white" frame="true" align="right" spinBox="true"
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 caption="2pac" />
 '''SOLUTION STRUCTURE OF FE(II) CYTOCHROME C551 FROM PSEUDOMONAS AERUGINOSA AS DETERMINED BY TWO-DIMENSIONAL 1H NMR'''<br />
 ==Overview==
-The solution structure of Fe(II) cytochrome c551 from Pseudomonas, aeruginosa based on 2D 1H NMR data is reported. Two sets of structure, calculations were completed with a combination of simulated annealing and, distance geometry calculations: one set of 20 structures included the, heme-peptide covalent linkages, and one set of 10 structures excluded, them. The main-chain atoms were well constrained within the two structural, ensembles (1.30 and 1.35 A average RMSD, respectively) except for two, regions spanning residues 30-40 and 60-70. The results were essentially, the same when global fold comparisons were made between the ensembles with, an average RMSD of 1.33 A. In total, 556 constraints were used, including, 479 NOEs, 53 volume constraints, and 24 other distances. This report, represents the first solution structure determination of a heme protein by, 2D 1H NMR and should provide a basis for the application of these, techniques to other proteins containing large prosthetic groups or, cofactors.
+The solution structure of Fe(II) cytochrome c551 from Pseudomonas aeruginosa based on 2D 1H NMR data is reported. Two sets of structure calculations were completed with a combination of simulated annealing and distance geometry calculations: one set of 20 structures included the heme-peptide covalent linkages, and one set of 10 structures excluded them. The main-chain atoms were well constrained within the two structural ensembles (1.30 and 1.35 A average RMSD, respectively) except for two regions spanning residues 30-40 and 60-70. The results were essentially the same when global fold comparisons were made between the ensembles with an average RMSD of 1.33 A. In total, 556 constraints were used, including 479 NOEs, 53 volume constraints, and 24 other distances. This report represents the first solution structure determination of a heme protein by 2D 1H NMR and should provide a basis for the application of these techniques to other proteins containing large prosthetic groups or cofactors.
 ==About this Structure==
-PAC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with HEM as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2PAC OCA].
+PAC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with <scene name='pdbligand=HEM:'>HEM</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2PAC OCA].
 ==Reference==
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 [[Category: Pseudomonas aeruginosa]]
 [[Category: Single protein]]
-[[Category: Detlefsen, D.J.]]
+[[Category: Detlefsen, D J.]]
-[[Category: Pecoraro, V.L.]]
+[[Category: Pecoraro, V L.]]
 [[Category: Thanabal, V.]]
 [[Category: Wagner, G.]]
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 [[Category: electron transport]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 13:28:40 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:27:40 2008''