Magnetic field induced residual dipolar couplings of imino groups in nucleic acids from measurements at a single magnetic field

Jinfa Ying; Alexander Grishaev; Michael P. Latham; Arthur Pardi; Ad Bax

doi:10.1007/s10858-007-9181-7

Magnetic field induced residual dipolar couplings of imino groups in nucleic acids from measurements at a single magnetic field

Jinfa Ying, Alexander Grishaev, Michael P. Latham, Arthur Pardi, Ad Bax

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

18 Scopus citations

Abstract

For base-paired nucleic acids, variations in ¹J_NH and the imino ¹H chemical shift are both dominated by hydrogen bond length. In the absence of molecular alignment, the ¹J_NH coupling for the imino proton then can be approximated by ¹J_NH = (1.21Hz/ppm) δ_H - 103.5 ± 0.6 Hz, where δ_H represents the chemical shift of the imino proton in ppm. This relation permits imino residual dipolar couplings (RDCs)resulting from magnetic susceptibility anisotropy (MSA) to be extracted from measurement of (¹J_NH + RDC) splittings at a single magnetic field strength. Magnetic field-induced RDCs were measured for tRNA^Val and the alignment tensor determined from magnetic-field alignment of tRNA^Val agrees well with the tensor calculated by summation of the MSA tensors of the individual nucleobases.

Original language	English (US)
Pages (from-to)	91-96
Number of pages	6
Journal	Journal of biomolecular NMR
Volume	39
Issue number	2
DOIs	https://doi.org/10.1007/s10858-007-9181-7
State	Published - Oct 2007
Externally published	Yes

Bibliographical note

Funding Information:
Acknowledgement This work was supported in part by the Intramural Research Program of the NIDDK, NIH, and by the Intramural AIDS-Targeted Antiviral Program of the Office of the Director, NIH, and NIH grant AI33098 (AP); MPL was supported in part by an NIH Training Grant T32 GM65103. We thank Dr. Sam E. Butcher and Dipa Sashital for providing us with the15N-enriched U2-U6 sample.

Keywords

Alignment
Chemical shift
Dipolar coupling
Magnetic susceptibility anisotropy
RDC
tRNA

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title = "Magnetic field induced residual dipolar couplings of imino groups in nucleic acids from measurements at a single magnetic field",

abstract = "For base-paired nucleic acids, variations in 1JNH and the imino 1H chemical shift are both dominated by hydrogen bond length. In the absence of molecular alignment, the 1JNH coupling for the imino proton then can be approximated by 1JNH = (1.21Hz/ppm) δH - 103.5 ± 0.6 Hz, where δH represents the chemical shift of the imino proton in ppm. This relation permits imino residual dipolar couplings (RDCs)resulting from magnetic susceptibility anisotropy (MSA) to be extracted from measurement of (1JNH + RDC) splittings at a single magnetic field strength. Magnetic field-induced RDCs were measured for tRNAVal and the alignment tensor determined from magnetic-field alignment of tRNAVal agrees well with the tensor calculated by summation of the MSA tensors of the individual nucleobases.",

keywords = "Alignment, Chemical shift, Dipolar coupling, Magnetic susceptibility anisotropy, RDC, tRNA",

author = "Jinfa Ying and Alexander Grishaev and Latham, {Michael P.} and Arthur Pardi and Ad Bax",

note = "Funding Information: Acknowledgement This work was supported in part by the Intramural Research Program of the NIDDK, NIH, and by the Intramural AIDS-Targeted Antiviral Program of the Office of the Director, NIH, and NIH grant AI33098 (AP); MPL was supported in part by an NIH Training Grant T32 GM65103. We thank Dr. Sam E. Butcher and Dipa Sashital for providing us with the15N-enriched U2-U6 sample.",

year = "2007",

month = oct,

doi = "10.1007/s10858-007-9181-7",

language = "English (US)",

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AU - Ying, Jinfa

AU - Grishaev, Alexander

AU - Latham, Michael P.

AU - Pardi, Arthur

AU - Bax, Ad

N1 - Funding Information: Acknowledgement This work was supported in part by the Intramural Research Program of the NIDDK, NIH, and by the Intramural AIDS-Targeted Antiviral Program of the Office of the Director, NIH, and NIH grant AI33098 (AP); MPL was supported in part by an NIH Training Grant T32 GM65103. We thank Dr. Sam E. Butcher and Dipa Sashital for providing us with the15N-enriched U2-U6 sample.

PY - 2007/10

Y1 - 2007/10

N2 - For base-paired nucleic acids, variations in 1JNH and the imino 1H chemical shift are both dominated by hydrogen bond length. In the absence of molecular alignment, the 1JNH coupling for the imino proton then can be approximated by 1JNH = (1.21Hz/ppm) δH - 103.5 ± 0.6 Hz, where δH represents the chemical shift of the imino proton in ppm. This relation permits imino residual dipolar couplings (RDCs)resulting from magnetic susceptibility anisotropy (MSA) to be extracted from measurement of (1JNH + RDC) splittings at a single magnetic field strength. Magnetic field-induced RDCs were measured for tRNAVal and the alignment tensor determined from magnetic-field alignment of tRNAVal agrees well with the tensor calculated by summation of the MSA tensors of the individual nucleobases.

AB - For base-paired nucleic acids, variations in 1JNH and the imino 1H chemical shift are both dominated by hydrogen bond length. In the absence of molecular alignment, the 1JNH coupling for the imino proton then can be approximated by 1JNH = (1.21Hz/ppm) δH - 103.5 ± 0.6 Hz, where δH represents the chemical shift of the imino proton in ppm. This relation permits imino residual dipolar couplings (RDCs)resulting from magnetic susceptibility anisotropy (MSA) to be extracted from measurement of (1JNH + RDC) splittings at a single magnetic field strength. Magnetic field-induced RDCs were measured for tRNAVal and the alignment tensor determined from magnetic-field alignment of tRNAVal agrees well with the tensor calculated by summation of the MSA tensors of the individual nucleobases.

KW - Alignment

KW - Chemical shift

KW - Dipolar coupling

KW - Magnetic susceptibility anisotropy

KW - RDC

KW - tRNA

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Magnetic field induced residual dipolar couplings of imino groups in nucleic acids from measurements at a single magnetic field

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