The stereospecific assignment of H5' and H5' in RNA using the sign of two-bond carbon-proton scalar couplings

Journal Article · Wed Nov 17 00:00:00 EST 1993 · Journal of the American Chemical Society; (United States)

DOI:https://doi.org/10.1021/ja00076a073· OSTI ID:7114056

Hines, J V; Varani, G; Landry, S M; Tinoco, I Jr ^[1]

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1. Univ. of California, Berkeley, CA (United States)

Stereospecific assignment of H5' and H5' protons in the NMR spectra of nucleic acids provides significant improvement in the use of NOE distance and torsion angle constraints for structure determination. With stereospecific assignments, the torsion angles [beta] (P5'-O5'-C5'-C4') and [gamma] (O5'-C5'-C4'-C3') can be determined on the basis of [sup 1]H-[sup 1]H and [sup 31]P-[sup 1]H couplings. In addition, stereospecific assignment allows use of NOE distance constraints for H5' and H5'. We report a novel, independent method for the stereospecific assignment of the H5' (pro-S) and H5' (pro-R) protons which is based only on the sign of the carbon-proton two-bond scalar couplings and will not be greatly limited by line width. The sign of [sup 2]J[sub CH] can also be used to determine torsion angle [gamma] and the sugar conformation. Determination of the sign of the two-bond carbon-proton couplings provides a useful new method for the structure determination of RNA molecules. The ribose sugar conformation and torsion angle [gamma] (O5'-C5'-C4'-C3') can be specified. Furthermore, H5' and H5' protons can be stereospecifically assigned, allowing their use in NOE distance constraints and in determining [beta] (P5'-O5'-C5'-C4'). The correlation we have reported between the sign of [sup 2]J[sub CH] and RNA structure will be particularly useful in the study of large RNAs and RNA-protein complexes. 21 refs., 1 fig., 1 tab.

• DOE Contract Number: FG03-86ER60406; FG05-86ER75281
• OSTI ID: 7114056
• Journal Information: Journal of the American Chemical Society; (United States), Vol. 115:23; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
59 BASIC BIOLOGICAL SCIENCES
RNA
NUCLEAR MAGNETIC RESONANCE
STEREOCHEMISTRY
CHEMICAL BONDS
COUPLING
MOLECULAR STRUCTURE
MAGNETIC RESONANCE
NUCLEIC ACIDS
ORGANIC COMPOUNDS
RESONANCE
400201* - Chemical & Physicochemical Properties
550200 - Biochemistry
400102 - Chemical & Spectral Procedures