1xdc

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{{STRUCTURE_1xdc| PDB=1xdc | SCENE= }}
{{STRUCTURE_1xdc| PDB=1xdc | SCENE= }}
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'''Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine'''
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===Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine===
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==Overview==
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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.
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{{ABSTRACT_PUBMED_16150974}}
==About this Structure==
==About this Structure==
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[[Category: Manganese superoxide dismutase]]
[[Category: Manganese superoxide dismutase]]
[[Category: Mnsod]]
[[Category: Mnsod]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 10:11:06 2008''

Revision as of 07:11, 29 July 2008

Image:1xdc.png

Template:STRUCTURE 1xdc

Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine

Template:ABSTRACT PUBMED 16150974

About this Structure

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

Reference

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

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