scholarly journals NMR Study of Repair Mechanism of DNA Photolyase by FAD-induced Paramagnetic Relaxation Enhancement

2004 ◽  
Vol 279 (50) ◽  
pp. 52574-52579 ◽  
Author(s):  
Takumi Ueda ◽  
Akira Kato ◽  
Yuuta Ogawa ◽  
Takuya Torizawa ◽  
Seiki Kuramitsu ◽  
...  
Keyword(s):  
Thermus Thermophilus ◽  
Paramagnetic Relaxation ◽  
Paramagnetic Relaxation Enhancement ◽  
Pyrimidine Dimer ◽  
Dna Photolyase ◽  
X Ray ◽  
Double Stranded Dna ◽  
Nmr Study ◽  
Tryptophan Residues ◽  
Dna Complex

Cyclobutane pyrimidine dimer (CPD) photolyases, which contain FAD as a cofactor, use light to repair CPDs. We performed structural analyses of the catalytic site of theThermus thermophilusCPD photolyase-DNA complex, using FAD-induced paramagnetic relaxation enhancement (PRE). The distances between the tryptophan residues and the FAD calculated from the PRE agree well with those observed in the x-ray structure (with an error of <3 Å). Subsequently, a single-stranded DNA containing13C-labeled CPD was prepared, and the FAD-induced PRE of the NMR resonances from the CPD lesion in complex with the CPD photolyase was investigated. The distance between the FAD and the CPD calculated from the PRE is 16 ± 3 Å. The FAD-induced PRE was also observed in the CPD photolyase-double-stranded DNA complex. Based on these results, a model of the CPD photolyase-DNA complex was constructed, and the roles of Arg-201, Lys-240, Trp-247, and Trp-353 in the CPD-repair reaction are discussed.

Crystallization And Preliminary X-Ray Studies Of A Thermostable Dna Photolyase From Thermus Thermophilus Hb8

2001 ◽  
Vol 8 (6) ◽  
pp. 495-498
Author(s):  
Hirofumi Komori ◽  
Hiroshi Tsujiuchi ◽  
Ryoji Masuii ◽  
seiki Kuramitsu ◽  
Shigeyuki Yokoyama ◽  
...  
Keyword(s):  
Thermus Thermophilus ◽  
Dna Photolyase ◽  
Thermus Thermophilus Hb8 ◽  
X Ray

scholarly journals Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO

2021 ◽  
Vol 22 (2) ◽  
pp. 706
Author(s):  
Rui Cordeiro ◽  
Maria J. Beira ◽  
Carlos Cruz ◽  
João L. Figueirinhas ◽  
Marta C. Corvo ◽  
...  
Keyword(s):  
1H Nmr ◽  
Molecular Level ◽  
Outer Sphere ◽  
Paramagnetic Relaxation ◽  
Paramagnetic Relaxation Enhancement ◽  
Local Order ◽  
Large Set ◽  
X Ray ◽  
Nmr Relaxometry ◽  
Ionic Systems

Understanding the behavior of a chemical compound at a molecular level is fundamental, not only to explain its macroscopic properties, but also to enable the control and optimization of these properties. The present work aims to characterize a set of systems based on the ionic liquids [Aliquat][Cl] and [Aliquat][FeCl4] and on mixtures of these with different concentrations of DMSO by means of 1H NMR relaxometry, diffusometry and X-ray diffractometry. Without DMSO, the compounds reveal locally ordered domains, which are large enough to induce order fluctuation as a significant relaxation pathway, and present paramagnetic relaxation enhancement for the [Aliquat][Cl] and [Aliquat][FeCl4] mixture. The addition of DMSO provides a way of tuning both the local order of these systems and the relaxation enhancement produced by the tetrachloroferrate anion. Very small DMSO volume concentrations (at least up to 1%) lead to enhanced paramagnetic relaxation without compromising the locally ordered domains. Larger DMSO concentrations gradually destroy these domains and reduce the effect of paramagnetic relaxation, while solvating the ions present in the mixtures. The paramagnetic relaxation was explained as a correlated combination of inner and outer-sphere mechanisms, in line with the size and structure differences between cation and anion. This study presents a robust method of characterizing paramagnetic ionic systems and obtaining a consistent analysis for a large set of samples having different co-solvent concentrations.

Crystal and solution structure of (E)-1,2-bis(ethylsulphonyl)cyclobutane-1,2-dicarbonitrile

1989 ◽  
Vol 54 (12) ◽  
pp. 3253-3259
Author(s):  
Jaroslav Podlaha ◽  
Miloš Buděšínský ◽  
Jana Podlahová ◽  
Jindřich Hašek
Keyword(s):  
Hydrogen Peroxide ◽  
Solution Structure ◽  
Peroxide Oxidation ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Study ◽  
Hydrogen Peroxide Oxidation ◽  
Unusual Product ◽  
C Nmr

The unusual product of the reaction of 2-chloroacrylonitrile with ethane thiol and following hydrogen peroxide oxidation was found to be (E)-1,2-bis(ethylsulphonyl)cyclobutane-1,2-dicarbonitrile by means of X-ray crystallography. 1H and 13C NMR study of this compound has proven the same conformation of the molecule in solution.

scholarly journals Structure-Free Validation of Residual Dipolar Coupling and Paramagnetic Relaxation Enhancement Measurements of Disordered Proteins

Biochemistry ◽  
2015 ◽  
Vol 54 (46) ◽  
pp. 6876-6886 ◽  
Author(s):  
Francisco N. Newby ◽  
Alfonso De Simone ◽  
Maho Yagi-Utsumi ◽  
Xavier Salvatella ◽  
Christopher M. Dobson ◽  
...  
Keyword(s):  
Dipolar Coupling ◽  
Residual Dipolar Coupling ◽  
Paramagnetic Relaxation ◽  
Paramagnetic Relaxation Enhancement ◽  
Disordered Proteins

scholarly journals Tautomerisation in 1-(4-Methylphenylazo)naphthalen-2-ol and 2-(4-Methylphenylazo)-4-methylphenol: A Crystallographic and 13C{1H}NMR Study

1999 ◽  
Vol 23 (3) ◽  
pp. 178-179
Author(s):  
Wendy I. Cross ◽  
Kevin R. Flower ◽  
Robin G. Pritchard
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Resonant Frequency ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Nmr Study ◽  
Acetic Acid Esters ◽  
Acid Esters ◽  
Equivalent Carbon

The acetic acid esters of 1-(4-methylphenylazo)naphthalen-2-ol 1 and 2-(4-methylphenylazo)-4-methylphenol 3 are prepared and characterised by single crystal X-ray diffraction studies and 13C{1H}NMR spectroscopy; the position of the C(2)13C resonance for the ester is used to predict the position of resonant frequency of the equivalent carbon in the parent alcohols and hence, calculate the position of the azo-hydrazone equilibrium in these compounds.

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