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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/GA13-27676S" target="_blank" >GA13-27676S: Pyramidalizace glykosidického dusíku v nukleových kyselinách; efekt pyramidalizace na chemii štěpení glykosidické vazby</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

—

Svazek periodika

22

Číslo periodika v rámci svazku

37

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

4

Strana od-do

13028-13031

Kód UT WoS článku

000383763200010

EID výsledku v databázi Scopus

2-s2.0-84985031142