1pij: Difference between revisions

Revision as of 05:07, 3 May 2008

THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE

OverviewOverview

The three-dimensional structure in solution of reduced recombinant high-potential iron-sulfur protein iso-I from Ectothiorhodospira halophila was determined using 948 relevant interproton NOEs out of the 1246 observed NOEs. The determination was accomplished using the XEASY program for spectral analysis and the distance geometry (DG) program DIANA for generation of the structure as described by Wuthrich [Wuthrich, K. (1989) Acc. Chem. Res. 22, 36-44]. The FeS cluster was simulated using an amino acid residue constructed for the present work from a cysteinyl residue with an iron and a sulfur atom attached to the terminal thiol. The family of structures obtained from distance geometry were subjected to energy minimization and molecular dynamics simulations using previously defined force field parameters. The quality of these structures at each stage of the refinement process is discussed with respect to the dihedral angle order parameter and the root-mean-square deviation of the atomic coordinates. The latter values for the backbone atoms vary from 67 pm for the distance-geometry structures to 60 pm for the energy-minimized structures to 51 pm for the structures subjected to restrained molecular dynamics. Finally, the structure in best agreement with the NOE constraints has been further treated with extensive restrained molecular dynamics in water. The solution structure is well defined and is very similar to the available X-ray structure. We do not know of any previous determination of the structure of a paramagnetic protein in solution by NMR. The effect of paramagnetism on the quality of the structure determination is discussed.

About this StructureAbout this Structure

1PIJ is a Single protein structure of sequence from Halorhodospira halophila. Full crystallographic information is available from OCA.

ReferenceReference

The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance., Banci L, Bertini I, Eltis LD, Felli IC, Kastrau DH, Luchinat C, Piccioli M, Pierattelli R, Smith M, Eur J Biochem. 1994 Oct 15;225(2):715-25. PMID:7957187 Page seeded by OCA on Sat May 3 05:07:15 2008

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OCA

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 [[Image:1pij.gif|left|200px]]
- {{Structure
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+The line below this paragraph, containing "STRUCTURE_1pij", creates the "Structure Box" on the page.
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+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>
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-|GENE= POTENTIAL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1053 Halorhodospira halophila])
+-->
-|DOMAIN=
+{{STRUCTURE_1pij|  PDB=1pij  |  SCENE=  }}
-|RELATEDENTRY=[[1pih|1PIH]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1pij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pij OCA], [http://www.ebi.ac.uk/pdbsum/1pij PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1pij RCSB]</span>
-}}
 '''THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE'''
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 [[Category: Pierattelli, R.]]
 [[Category: Smith, M.]]
-[[Category: electron transfer (iron-sulfur protein)]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 05:07:15 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:00:04 2008''