Related ArticlesIron Porphyrin Carbenes as Catalytic Intermediates: Structures, Mössbauer and NMR Spectroscopic Properties, and Bonding.
Angew Chem Int Ed Engl. 2014 Jun 6;
Authors: Khade RL, Fan W, Ling Y, Yang L, Oldfield E, Zhang Y
Abstract
Iron porphyrin carbenes (IPCs) are thought to be intermediates involved in the metabolism of various xenobiotics by cytochrome P450, as well as in chemical reactions catalyzed by metalloporphyrins and engineered P450s. While early work proposed IPCs to contain Fe(II) , more recent work invokes a double-bond description of the iron-carbon bond, similar to that found in Fe(IV) porphyrin oxenes. Reported herein is the first quantum chemical investigation of IPC Mössbauer and NMR spectroscopic properties, as well as their electronic structures, together with comparisons to ferrous heme proteins and an Fe(IV) oxene model. The results provide the first accurate predictions of the experimental spectroscopic observables as well as the first theoretical explanation of their electrophilic nature, as deduced from experiment. The preferred resonance structure is Fe(II)
[NMR paper] Catalytic mechanism of ?-phosphate attack in dUTPase is revealed by X-ray crystallographic snapshots of distinct intermediates, 31P-NMR spectroscopy and reaction path modelling.
Catalytic mechanism of ?-phosphate attack in dUTPase is revealed by X-ray crystallographic snapshots of distinct intermediates, 31P-NMR spectroscopy and reaction path modelling.
Catalytic mechanism of ?-phosphate attack in dUTPase is revealed by X-ray crystallographic snapshots of distinct intermediates, 31P-NMR spectroscopy and reaction path modelling.
Nucleic Acids Res. 2013 Aug 27;
Authors: Barabás O, Németh V, Bodor A, Perczel A, Rosta E, Kele Z, Zagyva I, Szabadka Z, Grolmusz VI, Wilmanns M, Vértessy BG
Abstract
Enzymatic synthesis...
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08-29-2013 01:53 PM
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads
From The DNP-NMR Blog:
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads
van der Est, A. and P. Poddutoori, Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads. Appl. Magn. Reson., 2013. 44(1-2): p. 301-318.
http://dx.doi.org/10.1007/s00723-012-0420-z
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08-01-2013 12:26 AM
Spectroscopic solution: NMR accesses membrane protein structures
Spectroscopic solution: NMR accesses membrane protein structures
Membrane proteins mediate so much of the information flow between cells and their surroundings. Understanding their molecular structure will inevitably give scientists insights into function and form as well as providing targets for novel pharmaceuticals when these proteins go awry.
Source: Spectroscopynow.com
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10-03-2011 08:40 PM
[NMR paper] Low-populated folding intermediates of Fyn SH3 characterized by relaxation dispersion
Low-populated folding intermediates of Fyn SH3 characterized by relaxation dispersion NMR.
Related Articles Low-populated folding intermediates of Fyn SH3 characterized by relaxation dispersion NMR.
Nature. 2004 Jul 29;430(6999):586-90
Authors: Korzhnev DM, Salvatella X, Vendruscolo M, Di Nardo AA, Davidson AR, Dobson CM, Kay LE
Many biochemical processes proceed through the formation of functionally significant intermediates. Although the identification and characterization of such species can provide vital clues about the mechanisms of the...
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11-24-2010 09:51 PM
[NMR paper] Hydrogen bonding in high-resolution protein structures: a new method to assess NMR pr
Hydrogen bonding in high-resolution protein structures: a new method to assess NMR protein geometry.
Related Articles Hydrogen bonding in high-resolution protein structures: a new method to assess NMR protein geometry.
J Am Chem Soc. 2002 Sep 4;124(35):10621-6
Authors: Lipsitz RS, Sharma Y, Brooks BR, Tjandra N
An analysis of backbone hydrogen bonds has been performed on nine high-resolution protein X-ray crystal structures. Backbone hydrogen-bond geometry is compared in the context of X-ray crystal structure resolution. A strong correlation...
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11-24-2010 08:58 PM
[NMR paper] Oxidation of guanines in the iron-responsive element RNA: similar structures from che
Oxidation of guanines in the iron-responsive element RNA: similar structures from chemical modification and recent NMR studies.
Related Articles Oxidation of guanines in the iron-responsive element RNA: similar structures from chemical modification and recent NMR studies.
Chem Biol. 1998 Dec;5(12):679-87
Authors: Ciftan SA, Theil EC, Thorp HH
BACKGROUND: The translation or stability of the mRNAs from ferritin, maconitase, erythroid aminoevulinate synthase and the transferrin receptor is controlled by the binding of two iron regulatory proteins...
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11-17-2010 11:15 PM
[NMR paper] Iron uptake by ferritin: NMR relaxometry studies at low iron loads.
Iron uptake by ferritin: NMR relaxometry studies at low iron loads.
Related Articles Iron uptake by ferritin: NMR relaxometry studies at low iron loads.
J Inorg Biochem. 1998 Sep;71(3-4):153-7
Authors: Vymazal J, Brooks RA, Bulte JW, Gordon D, Aisen P
Twenty ferritin samples were prepared at pH 6.5 with average loadings of 0-89 Fe atoms per molecule. Nuclear magnetic relaxation times T1 and T2 were measured at 3 degrees C, 23 degrees C, and at 37 degrees C and at field strength from 0.025 to 1.5 T. The field dependence, temperature dependence,...
Iron Porphyrin Carbenes as Catalytic Intermediates: Structures, Mössbauer and NMR Spectroscopic Properties, and Bonding.
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