13C-NMR of the Deoxyribose Sugars in Four DNA Oligonucleotide Duplexes: Assignment and Structural Features

Steven R. LaPlante; Nilo Zanatta; Anna Hakkinen; Andrew H.J. Wang; Philip N. Borer

doi:10.1021/bi00175a011

¹³C-NMR of the Deoxyribose Sugars in Four DNA Oligonucleotide Duplexes: Assignment and Structural Features

Steven R. LaPlante, Nilo Zanatta, Anna Hakkinen, Andrew H.J. Wang, Philip N. Borer

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

19 Citations (Scopus)

Abstract

Natural-abundance ¹³C-NMR spectra have been obtained for four self-complementary DNA oligonucleotides: [d(TAGCGCTA)]₂, [d(GGTATACC)]₂, [d(CG)₃]₂, and [d(TCGCG)]₂; this paper focuses on the deoxyribose resonances. Assignments were made by a combination of the two-dimensional protondetected heteronuclear correlation experiment and comparison of 1D spectra, accounting for ³¹P coupling, base composition, and similarities in chemical shift versus temperature profiles (δ vs T). Large shielding and deshielding of the sugar resonances (between 2.0 and -1.9 ppm) are observed upon thermal dissociation of the duplex. The shapes of the δ vs T profiles correlate strongly with the purine/pyrimidine nature of the base attached at C1′ in these duplexes that have a substantial fraction of residues within alternating purine-pyrimidine sequences. The correlation is primarily associated with changes in the equilibrium distribution of furanose pseudorotational states that may arise in part from the relief of interstrand purine-purine steric clashes.

Original language	English
Pages (from-to)	2430-2440
Number of pages	11
Journal	Biochemistry
Volume	33
Issue number	9
DOIs	https://doi.org/10.1021/bi00175a011
Publication status	Published - Mar 1 1994
Externally published	Yes

ASJC Scopus subject areas

Biochemistry

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title = "13C-NMR of the Deoxyribose Sugars in Four DNA Oligonucleotide Duplexes: Assignment and Structural Features",

abstract = "Natural-abundance 13C-NMR spectra have been obtained for four self-complementary DNA oligonucleotides: [d(TAGCGCTA)]2, [d(GGTATACC)]2, [d(CG)3]2, and [d(TCGCG)]2; this paper focuses on the deoxyribose resonances. Assignments were made by a combination of the two-dimensional protondetected heteronuclear correlation experiment and comparison of 1D spectra, accounting for 31P coupling, base composition, and similarities in chemical shift versus temperature profiles (δ vs T). Large shielding and deshielding of the sugar resonances (between 2.0 and -1.9 ppm) are observed upon thermal dissociation of the duplex. The shapes of the δ vs T profiles correlate strongly with the purine/pyrimidine nature of the base attached at C1′ in these duplexes that have a substantial fraction of residues within alternating purine-pyrimidine sequences. The correlation is primarily associated with changes in the equilibrium distribution of furanose pseudorotational states that may arise in part from the relief of interstrand purine-purine steric clashes.",

author = "LaPlante, {Steven R.} and Nilo Zanatta and Anna Hakkinen and Wang, {Andrew H.J.} and Borer, {Philip N.}",

year = "1994",

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T1 - 13C-NMR of the Deoxyribose Sugars in Four DNA Oligonucleotide Duplexes

T2 - Assignment and Structural Features

AU - LaPlante, Steven R.

AU - Zanatta, Nilo

AU - Hakkinen, Anna

AU - Wang, Andrew H.J.

AU - Borer, Philip N.

PY - 1994/3/1

Y1 - 1994/3/1

N2 - Natural-abundance 13C-NMR spectra have been obtained for four self-complementary DNA oligonucleotides: [d(TAGCGCTA)]2, [d(GGTATACC)]2, [d(CG)3]2, and [d(TCGCG)]2; this paper focuses on the deoxyribose resonances. Assignments were made by a combination of the two-dimensional protondetected heteronuclear correlation experiment and comparison of 1D spectra, accounting for 31P coupling, base composition, and similarities in chemical shift versus temperature profiles (δ vs T). Large shielding and deshielding of the sugar resonances (between 2.0 and -1.9 ppm) are observed upon thermal dissociation of the duplex. The shapes of the δ vs T profiles correlate strongly with the purine/pyrimidine nature of the base attached at C1′ in these duplexes that have a substantial fraction of residues within alternating purine-pyrimidine sequences. The correlation is primarily associated with changes in the equilibrium distribution of furanose pseudorotational states that may arise in part from the relief of interstrand purine-purine steric clashes.

AB - Natural-abundance 13C-NMR spectra have been obtained for four self-complementary DNA oligonucleotides: [d(TAGCGCTA)]2, [d(GGTATACC)]2, [d(CG)3]2, and [d(TCGCG)]2; this paper focuses on the deoxyribose resonances. Assignments were made by a combination of the two-dimensional protondetected heteronuclear correlation experiment and comparison of 1D spectra, accounting for 31P coupling, base composition, and similarities in chemical shift versus temperature profiles (δ vs T). Large shielding and deshielding of the sugar resonances (between 2.0 and -1.9 ppm) are observed upon thermal dissociation of the duplex. The shapes of the δ vs T profiles correlate strongly with the purine/pyrimidine nature of the base attached at C1′ in these duplexes that have a substantial fraction of residues within alternating purine-pyrimidine sequences. The correlation is primarily associated with changes in the equilibrium distribution of furanose pseudorotational states that may arise in part from the relief of interstrand purine-purine steric clashes.

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¹³C-NMR of the Deoxyribose Sugars in Four DNA Oligonucleotide Duplexes: Assignment and Structural Features

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