Structure Determination of an Ag<sup>I</sup>‐Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with <sup>1</sup>H/<sup>15</sup>N/<sup>109</sup>Ag NMR Spectroscopy
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- Takenori Dairaku
- School of Pharmaceutical Sciences Ohu University 31-1 Misumido, Tomita-machi, Koriyama Fukushima 963-8611 Japan
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- Kyoko Furuita
- Institute for Protein Research Osaka University 3-2 Yamadaoka, Suita Osaka 565-0871 Japan
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- Hajime Sato
- Application, Bruker BioSpin K. K. 3–9 Moriya-cho, Kanagawa-ku, Yokohama Kanagawa 221-0022 Japan
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- Jakub Šebera
- Institute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech Republic, v.v.i. Flemingovo náměstí 2 16610 Praha 6 Czech Republic
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- Katsuyuki Nakashima
- Faculty of Phamaceutical Scienes Tokushima Bunri University Yamashiro-cho Tokushima 770-8514 Japan
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- Jiro Kondo
- Department of Materials and Life Sciences Faculty of Science and Technology, Sophia University 7-1 Kioi-cho, Chiyoda-ku Tokyo 102-8554 Japan
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- Daichi Yamanaka
- Graduate School of Pharmaceutical Sciences Tohoku University 6-3 Aza-Aoba, Aramaki, Aoba-ku, Sendai Miyagi 980-8578 Japan
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- Yoshinori Kondo
- Graduate School of Pharmaceutical Sciences Tohoku University 6-3 Aza-Aoba, Aramaki, Aoba-ku, Sendai Miyagi 980-8578 Japan
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- Itaru Okamoto
- Department of Material & Life Chemistry, Faculty of Engineering Kanagawa University 3-27-1 Rokkakubashi, Kanagawa-ku, Yokohama Kanagawa 221-8686 Japan
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- Akira Ono
- Department of Material & Life Chemistry, Faculty of Engineering Kanagawa University 3-27-1 Rokkakubashi, Kanagawa-ku, Yokohama Kanagawa 221-8686 Japan
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- Vladimír Sychrovský
- Institute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech Republic, v.v.i. Flemingovo náměstí 2 16610 Praha 6 Czech Republic
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- Chojiro Kojima
- Institute for Protein Research Osaka University 3-2 Yamadaoka, Suita Osaka 565-0871 Japan
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- Yoshiyuki Tanaka
- Graduate School of Pharmaceutical Sciences Tohoku University 6-3 Aza-Aoba, Aramaki, Aoba-ku, Sendai Miyagi 980-8578 Japan
Description
<jats:title>Abstract</jats:title><jats:p>The structure of an Ag<jats:sup>I</jats:sup>‐mediated cytosine–cytosine base pair, C–Ag<jats:sup>I</jats:sup>–C, was determined with NMR spectroscopy in solution. The observation of 1‐bond <jats:sup>15</jats:sup>N‐<jats:sup>109</jats:sup>Ag <jats:italic>J</jats:italic>‐coupling (<jats:sup>1</jats:sup><jats:italic>J</jats:italic>(<jats:sup>15</jats:sup>N,<jats:sup>109</jats:sup>Ag): 83 and 84 Hz) recorded within the C–Ag<jats:sup>I</jats:sup>–C base pair evidenced the N3–Ag<jats:sup>I</jats:sup>–N3 linkage in C–Ag<jats:sup>I</jats:sup>–C. The triplet resonances of the N4 atoms in C–Ag<jats:sup>I</jats:sup>–C demonstrated that each exocyclic N4 atom exists as an amino group (−NH<jats:sub>2</jats:sub>), and any isomerization and/or N4–Ag<jats:sup>I</jats:sup> bonding can be excluded. The 3D structure of Ag<jats:sup>I</jats:sup>–DNA complex determined with NOEs was classified as a B‐form conformation with a notable propeller twist of C–Ag<jats:sup>I</jats:sup>–C (−18.3±3.0°). The <jats:sup>109</jats:sup>Ag NMR chemical shift of C‐Ag<jats:sup>I</jats:sup>‐C was recorded for cytidine/Ag<jats:sup>I</jats:sup> complex (<jats:italic>δ</jats:italic>(<jats:sup>109</jats:sup>Ag): 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<jats:sup>I</jats:sup>–C base pair.</jats:p>
Journal
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- Chemistry – A European Journal
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Chemistry – A European Journal 22 (37), 13028-13031, 2016-08-09
Wiley
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Details 詳細情報について
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- CRID
- 1360565164420526464
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- ISSN
- 15213765
- 09476539
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- Data Source
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- Crossref
- KAKEN