Structure Determination of an AgI-Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F16%3A00303292" target="_blank" >RIV/68407700:21230/16:00303292 - isvavai.cz</a>

Result on the web

<a href="http://onlinelibrary.wiley.com/store/10.1002/chem.201603048/asset/supinfo/chem201603048-sup-0001-misc_information.pdf?v=1&s=82292377bf3dd1fc1b59f4cb8aa9f5c3d0b3acae" target="_blank" >http://onlinelibrary.wiley.com/store/10.1002/chem.201603048/asset/supinfo/chem201603048-sup-0001-misc_information.pdf?v=1&s=82292377bf3dd1fc1b59f4cb8aa9f5c3d0b3acae</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/chem.201603048" target="_blank" >10.1002/chem.201603048</a>

Result language

angličtina

Original language name

Structure Determination of an AgI-Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy

Original language description

The structure of an AgI-mediated cytosine–cytosine base pair, C–AgI–C, was determined with NMR spectroscopy in solution. The observation of 1-bond 15N-109Ag J-coupling (1J(15N,109Ag): 83 and 84 Hz) recorded within the C–AgI–C base pair evidenced the N3–AgI–N3 linkage in C–AgI–C. The triplet resonances of the N4 atoms in C–AgI–C demonstrated that each exocyclic N4 atom exists as an amino group (-NH2), and any isomerization and/or N4–AgI bonding can be excluded. The 3D structure of AgI–DNA complex determined with NOEs was classified as a B-form conformation with a notable propeller twist of C–AgI–C (-18.3±3.0°). The 109Ag NMR chemical shift of C-AgI-C was recorded for cytidine/AgI complex (δ(109Ag): 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–AgI–C base pair.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

JA - Electronics and optoelectronics

OECD FORD branch

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Project

—

Continuities

V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

—

Volume of the periodical

22

Issue of the periodical within the volume

37

Country of publishing house

US - UNITED STATES

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