1xdc: Difference between revisions

Revision as of 14:53, 3 May 2008

Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine

OverviewOverview

Incorporation of 3-fluorotyrosine and site-specific mutagenesis has been utilized with Fourier transform infrared (FTIR) spectroscopy and x-ray crystallography to elucidate active-site structure and the role of an active-site residue Tyr34 in human manganese superoxide dismutase (MnSOD). Calculated harmonic frequencies at the B3LYP/6-31G** level of theory for L-tyrosine and its 3-fluorine substituted analog are compared to experimental frequencies for vibrational mode assignments. Each of the nine tyrosine residues in each of the four subunits of the homotetramer of human MnSOD was replaced with 3-fluorotyrosine. The crystal structures of the unfluorinated and fluorinated wild-type MnSOD are nearly superimposable with the root mean-square deviation for 198 alpha-carbon atoms at 0.3 A. The FTIR data show distinct vibrational modes arising from 3-fluorotyrosine in MnSOD. Comparison of spectra for wild-type and Y34F MnSOD showed that the phenolic hydroxyl of Tyr34 is hydrogen bonded, acting as a proton donor in the active site. Comparison with crystal structures demonstrates that the hydroxyl of Tyr34 is a hydrogen bond donor to an adjacent water molecule; this confirms the participation of Tyr34 in a network of residues and water molecules that extends from the active site to the adjacent subunit.

About this StructureAbout this Structure

1XDC is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine., Ayala I, Perry JJ, Szczepanski J, Tainer JA, Vala MT, Nick HS, Silverman DN, Biophys J. 2005 Dec;89(6):4171-9. Epub 2005 Sep 8. PMID:16150974 Page seeded by OCA on Sat May 3 14:53:10 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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 [[Image:1xdc.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 1xdc |SIZE=350|CAPTION= <scene name='initialview01'>1xdc</scene>, resolution 1.85&Aring;
+The line below this paragraph, containing "STRUCTURE_1xdc", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=YOF:3-FLUOROTYROSINE'>YOF</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Superoxide_dismutase Superoxide dismutase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.15.1.1 1.15.1.1] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= SOD2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_1xdc|  PDB=1xdc  |  SCENE=  }}
-|RELATEDENTRY=[[1xil|1XIL]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1xdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xdc OCA], [http://www.ebi.ac.uk/pdbsum/1xdc PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1xdc RCSB]</span>
-}}
 '''Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine'''
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 [[Category: Vala, M T.]]
 [[Category: 3-fluorotyrosine]]
-[[Category: manganese superoxide dismutase]]
+[[Category: Manganese superoxide dismutase]]
-[[Category: mnsod]]
+[[Category: Mnsod]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 14:53:10 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:48:02 2008''