Structure Determination of an Ag-I-Mediated Cytosine-Cytosine Base Pair within DNA Duplex in Solution with H-1/N-15/Ag-109 NMR Spectroscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00464723" target="_blank" >RIV/61388963:_____/16:00464723 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/chem.201603048" target="_blank" >http://dx.doi.org/10.1002/chem.201603048</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/chem.201603048" target="_blank" >10.1002/chem.201603048</a>
Alternative languages
Result language
angličtina
Original language name
Structure Determination of an Ag-I-Mediated Cytosine-Cytosine Base Pair within DNA Duplex in Solution with H-1/N-15/Ag-109 NMR Spectroscopy
Original language description
The structure of an Ag-I-mediated cytosine-cytosine base pair, C-Ag-I-C, was determined with NMR spectroscopy in solution. The observation of 1-bond N-15-Ag-109 J-coupling ((1)J(N-15, Ag-109): 83 and 84 Hz) recorded within the C-Ag-I-C base pair evidenced the N3-Ag-I-N3 linkage in C-Ag-I-C. The triplet resonances of the N4 atoms in C-Ag-I-C demonstrated that each exocyclic N4 atom exists as an amino group (-NH2), and any isomerization and/or N4-Ag-I bonding can be excluded. The 3D structure of Ag-I-DNA complex determined with NOEs was classified as a B-form conformation with a notable propeller twist of C-Ag-I-C -18.3 +/- 3.08). The Ag-109 NMR chemical shift of C-Ag-I-C was recorded for cytidine/Ag-I complex (delta(Ag-109): 442 ppm) to completed full NMR characterization of the metal linkage. The structural interpretation of NMR data with quantum mechanical calculations corroborated the structure of the C-Ag-I-C base pair.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA13-27676S" target="_blank" >GA13-27676S: Pyramidalization of the glycosidic nitrogen in nucleic acids; linking the structural phenomenon with chemistry of N-glycosidic bond cleavage</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry - A European Journal
ISSN
0947-6539
e-ISSN
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Volume of the periodical
22
Issue of the periodical within the volume
37
Country of publishing house
DE - GERMANY
Number of pages
4
Pages from-to
13028-13031
UT code for WoS article
000383763200010
EID of the result in the Scopus database
2-s2.0-84985031142