Assignment strategies in homonuclear three-dimensional sup 1 H NMR spectra of proteins

Journal Article · Tue Feb 20 04:00:00 EST 1990 · Biochemistry; (USA)

DOI:https://doi.org/10.1021/bi00459a024· OSTI ID:6828799

Vuister, G W; Boelens, R; Padilla, A; Kleywegt, G J; Kaptein, R ^[1]

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1. Univ. of Utrecht (Netherlands)

The increase in dimensionality of three-dimensional (3D) NMR greatly enhances the spectral resolution in comparison to 2D NMR. It alleviates the problem of resonance overlap and may extend the range of molecules amenable to structure determination by high-resolution NMR spectroscopy. Here, the authors present strategies for the assignment of protein resonances from homonuclear nonselective 3D NOE-HOHAHA spectra. A notation for connectivities between protons, corresponding to cross peaks in 3D spectra, is introduced. They show how spin systems can be identified by tracing cross-peak patterns in cross sections perpendicular to the three frequency axes. The observable 3D sequential connectivities in proteins are tabulated, and estimates for the relative intensities of the corresponding cross peaks are given for {alpha}-helical and {beta}-sheet conformations. Intensities of the cross peaks in the 3D spectrum of pike III paravalbumin follow the predictions. The sequential-assignment procedure is illustrated for loop regions, extended and {alpha}-helical conformations for the residues Ala 54-Leu 63 of paravalbumin. NOEs that were not previously identified in 2D spectra of paravalbumin due to overlap are found.

• OSTI ID: 6828799
• Journal Information: Biochemistry; (USA), Journal Name: Biochemistry; (USA) Vol. 29:7; ISSN 0006-2960; ISSN BICHA
• Country of Publication: United States
• Language: English

Related Subjects

550201* -- Biochemistry-- Tracer Techniques
59 BASIC BIOLOGICAL SCIENCES
ALANINES
ALBUMINS
AMINO ACID SEQUENCE
AMINO ACIDS
BARYONS
CARBOXYLIC ACIDS
ELEMENTARY PARTICLES
FERMIONS
HADRONS
LEUCINE
MAGNETIC RESONANCE
MOLECULAR STRUCTURE
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUCLEONS
ORGANIC ACIDS
ORGANIC COMPOUNDS
PROTEINS
PROTONS
RELAXATION
RESONANCE
SPECTRA