2fz5
From Proteopedia
| Line 1: | Line 1: | ||
[[Image:2fz5.gif|left|200px]] | [[Image:2fz5.gif|left|200px]] | ||
| - | + | <!-- | |
| - | + | The line below this paragraph, containing "STRUCTURE_2fz5", creates the "Structure Box" on the page. | |
| - | + | You may change the PDB parameter (which sets the PDB file loaded into the applet) | |
| - | + | or the SCENE parameter (which sets the initial scene displayed when the page is loaded), | |
| - | | | + | or leave the SCENE parameter empty for the default display. |
| - | | | + | --> |
| - | + | {{STRUCTURE_2fz5| PDB=2fz5 | SCENE= }} | |
| - | + | ||
| - | + | ||
| - | }} | + | |
'''Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin''' | '''Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin''' | ||
| Line 31: | Line 28: | ||
[[Category: Vervoort, J.]] | [[Category: Vervoort, J.]] | ||
[[Category: Vlieg, J de.]] | [[Category: Vlieg, J de.]] | ||
| - | [[Category: | + | [[Category: Alpha/beta doubly-wound topology]] |
| - | [[Category: | + | [[Category: Non-covalently bound fmn]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:28:37 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 01:28, 4 May 2008
Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin
Overview
The tertiary structure of the non-crystallizable two-electron-reduced Megasphaera elsdenii flavodoxin (15 kDa, 137 amino acid residues) has been determined using nuclear Overhauser enhancement restraints extracted from two-dimensional 1H-NMR spectra. A tertiary structure satisfying the experimental restraints very well (maximum NOE violation of 66 pm) was obtained with use of restrained molecular dynamics, using 509 distance restraints (including one non-NOE) on a starting structure modeled from the crystal structure of one-electron-reduced Clostridium MP flavodoxin. The protein consists of a central parallel beta-sheet surrounded on both sides by two alpha-helices. The flavin is positioned at the periphery of the molecule. The tertiary structure of the protein is highly defined with the exception of the flavin. The latter is expected to result from performing the restrained molecular dynamics simulation without water molecules and without proper charges on the flavin. The flavin, including the phosphate, the ribityl side chain and the isoalloxazine ring, is solvent accessible under the experimental conditions used and evidenced by a two-dimensional amide exchange experiment. This accessibility is expected to be important in the redox potential regulation of the semiquinone/hydroquinone couple of the protein. The amide exchange against deuterons and several typical line shapes in the two-dimensional NMR spectra are consistent with the structure generated. The structure is discussed in detail.
About this Structure
2FZ5 is a Single protein structure of sequence from Megasphaera elsdenii. Full crystallographic information is available from OCA.
Reference
Tertiary structure of two-electron reduced Megasphaera elsdenii flavodoxin and some implications, as determined by two-dimensional 1H-NMR and restrained molecular dynamics., van Mierlo CP, Lijnzaad P, Vervoort J, Muller F, Berendsen HJ, de Vlieg J, Eur J Biochem. 1990 Nov 26;194(1):185-98. PMID:2253614 Page seeded by OCA on Sun May 4 04:28:37 2008
