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J Magn Reson. 2015 Nov;260:83-8. doi: 10.1016/j.jmr.2015.09.007. Epub 2015 Sep 21.

Effortless assignment with 4D covariance sequential correlation maps.

Author information

1
Department of Biophysics and Biophysical Chemistry, Johns Hopkins University School of Medicine, 701 Hunterian, 725 N Wolfe St, Baltimore, MD 21205, United States.

Abstract

Traditional Nuclear Magnetic Resonance (NMR) assignment procedures for proteins rely on preliminary peak-picking to identify and label NMR signals. However, such an approach has severe limitations when signals are erroneously labeled or completely neglected. The consequences are especially grave for proteins with substantial peak overlap, and mistakes can often thwart entire projects. To overcome these limitations, we previously introduced an assignment technique that bypasses traditional pick peaking altogether. Covariance Sequential Correlation Maps (COSCOMs) transform the indirect connectivity information provided by multiple 3D backbone spectra into direct (H, N) to (H, N) correlations. Here, we present an updated method that utilizes a single four-dimensional spectrum rather than a suite of three-dimensional spectra. We demonstrate the advantages of 4D-COSCOMs relative to their 3D counterparts. We introduce improvements accelerating their calculation. We discuss practical considerations affecting their quality. And finally we showcase their utility in the context of a 52 kDa cyclization domain from a non-ribosomal peptide synthetase.

KEYWORDS:

4D; Backbone assignment; COSCOM; Covariance sequential correlation maps; Peak picking

PMID:
26432397
PMCID:
PMC4628886
DOI:
10.1016/j.jmr.2015.09.007
[Indexed for MEDLINE]
Free PMC Article

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