Magnitudes and Orientations of the 15N Chemical Shift Tensor of [1-15N]-2′-Deoxyguanosine Determined on a Polycrystalline Sample by Two-Dimensional Solid-State NMR Spectroscopy

Gary A. Lorigan; Ronald McNamara; Roger A. Jones; Stanley J. Opella

doi:10.1006/jmre.1999.1822

Magnitudes and Orientations of the ¹⁵N Chemical Shift Tensor of [1-¹⁵N]-2′-Deoxyguanosine Determined on a Polycrystalline Sample by Two-Dimensional Solid-State NMR Spectroscopy

Gary A. Lorigan, Ronald McNamara, Roger A. Jones, Stanley J. Opella

School of Arts and Sciences, Chemistry & Chemical Biology

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

The magnitudes and orientations of the ¹⁵N chemical shift tensor of [1-¹⁵N]-2′-deoxyguanosine were determined from a polycrystalline sample using the two-dimensional PISEMA experiment. The magnitudes of the principal values of the ¹⁵N chemical shift tensor of the N1 nitrogen of [1-¹⁵N]-2′-deoxyguanosine were found to be σ₁₁ = 54 ppm, σ₂₂ = 148 ppm, and σ₃₃ = 201 ppm with respect to (¹⁵NH₄)₂SO₄ in aqueous solution. Comparisons of experimental and simulated two-dimensional powder pattern spectra show that σ_33N is approximately collinear with the N-H bond. The tensor orientation of σ_33N for N1 of [1-¹⁵N]-2′-deoxyguanosine is similar to the values obtained for the side chain residues of ¹⁵N_∈1-tryptophan and ¹⁵Nπ-histidine even though the magnitudes differ significantly.

Original language	English (US)
Pages (from-to)	315-319
Number of pages	5
Journal	Journal of Magnetic Resonance
Volume	140
Issue number	2
DOIs	https://doi.org/10.1006/jmre.1999.1822
State	Published - Oct 1999

All Science Journal Classification (ASJC) codes

Biophysics
Biochemistry
Nuclear and High Energy Physics
Condensed Matter Physics

Keywords

DNA
Deoxyguanosine
N chemical shift tensor
Solid-state NMR

Access to Document

10.1006/jmre.1999.1822

Cite this

@article{f0971078872545a2bb56707ed966db53,

title = "Magnitudes and Orientations of the 15N Chemical Shift Tensor of [1-15N]-2′-Deoxyguanosine Determined on a Polycrystalline Sample by Two-Dimensional Solid-State NMR Spectroscopy",

abstract = "The magnitudes and orientations of the 15N chemical shift tensor of [1-15N]-2′-deoxyguanosine were determined from a polycrystalline sample using the two-dimensional PISEMA experiment. The magnitudes of the principal values of the 15N chemical shift tensor of the N1 nitrogen of [1-15N]-2′-deoxyguanosine were found to be σ11 = 54 ppm, σ22 = 148 ppm, and σ33 = 201 ppm with respect to (15NH4)2SO4 in aqueous solution. Comparisons of experimental and simulated two-dimensional powder pattern spectra show that σ33N is approximately collinear with the N-H bond. The tensor orientation of σ33N for N1 of [1-15N]-2′-deoxyguanosine is similar to the values obtained for the side chain residues of 15N∈1-tryptophan and 15Nπ-histidine even though the magnitudes differ significantly.",

keywords = "DNA, Deoxyguanosine, N chemical shift tensor, Solid-state NMR",

author = "Lorigan, {Gary A.} and Ronald McNamara and Jones, {Roger A.} and Opella, {Stanley J.}",

note = "Funding Information: This work was supported by National Institutes of Health Grants R01GM29754 and R37624266 to SJO and GM31483 to RAJ. GAL was supported by NIH postdoctoral fellowship GM18187. This research utilized the Resource for Solid-State NMR of Proteins at the University of Pennsylvania: A NIH-Supported Research Center (Grant P41RR09731) from the Biomedical Research Technology Program, National Center for Research Resources, National Institutes of Health.",

year = "1999",

month = oct,

doi = "10.1006/jmre.1999.1822",

language = "English (US)",

volume = "140",

pages = "315--319",

journal = "Journal of Magnetic Resonance",

issn = "1090-7807",

publisher = "Academic Press Inc.",

number = "2",

}

Magnitudes and Orientations of the ¹⁵N Chemical Shift Tensor of [1-¹⁵N]-2′-Deoxyguanosine Determined on a Polycrystalline Sample by Two-Dimensional Solid-State NMR Spectroscopy. / Lorigan, Gary A.; McNamara, Ronald; Jones, Roger A. et al.
In: Journal of Magnetic Resonance, Vol. 140, No. 2, 10.1999, p. 315-319.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Magnitudes and Orientations of the 15N Chemical Shift Tensor of [1-15N]-2′-Deoxyguanosine Determined on a Polycrystalline Sample by Two-Dimensional Solid-State NMR Spectroscopy

AU - Lorigan, Gary A.

AU - McNamara, Ronald

AU - Jones, Roger A.

AU - Opella, Stanley J.

N1 - Funding Information: This work was supported by National Institutes of Health Grants R01GM29754 and R37624266 to SJO and GM31483 to RAJ. GAL was supported by NIH postdoctoral fellowship GM18187. This research utilized the Resource for Solid-State NMR of Proteins at the University of Pennsylvania: A NIH-Supported Research Center (Grant P41RR09731) from the Biomedical Research Technology Program, National Center for Research Resources, National Institutes of Health.

PY - 1999/10

Y1 - 1999/10

N2 - The magnitudes and orientations of the 15N chemical shift tensor of [1-15N]-2′-deoxyguanosine were determined from a polycrystalline sample using the two-dimensional PISEMA experiment. The magnitudes of the principal values of the 15N chemical shift tensor of the N1 nitrogen of [1-15N]-2′-deoxyguanosine were found to be σ11 = 54 ppm, σ22 = 148 ppm, and σ33 = 201 ppm with respect to (15NH4)2SO4 in aqueous solution. Comparisons of experimental and simulated two-dimensional powder pattern spectra show that σ33N is approximately collinear with the N-H bond. The tensor orientation of σ33N for N1 of [1-15N]-2′-deoxyguanosine is similar to the values obtained for the side chain residues of 15N∈1-tryptophan and 15Nπ-histidine even though the magnitudes differ significantly.

AB - The magnitudes and orientations of the 15N chemical shift tensor of [1-15N]-2′-deoxyguanosine were determined from a polycrystalline sample using the two-dimensional PISEMA experiment. The magnitudes of the principal values of the 15N chemical shift tensor of the N1 nitrogen of [1-15N]-2′-deoxyguanosine were found to be σ11 = 54 ppm, σ22 = 148 ppm, and σ33 = 201 ppm with respect to (15NH4)2SO4 in aqueous solution. Comparisons of experimental and simulated two-dimensional powder pattern spectra show that σ33N is approximately collinear with the N-H bond. The tensor orientation of σ33N for N1 of [1-15N]-2′-deoxyguanosine is similar to the values obtained for the side chain residues of 15N∈1-tryptophan and 15Nπ-histidine even though the magnitudes differ significantly.

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