Backbone resonances

The partial backbone assignment of the catalytic domain of protein kinase A (PKA) using a combination of NMR techniques was reported in 2004 [51]. This represented the first reported NMR assignment of any protein kinase catalytic domain. Backbone resonance assignment of the 42kDa protein was achieved using a combination of triple-labelled ( H, N)... 

Lohr F, Riiterjans H. A triple resonance experiment for the sequential assignment of backbone resonances in proteins. J Biomol NMR 1995 6 189-197... 

Figure 49 29Si NMR backbone resonances for (a) 117, (b) 121 (S), and (c) 88 in CDCI3 at 30 °C314 Reprinted with permission from Fujiki, M. J. Am. Chem. Soc. 2000, 122, 3336-3343, 2000 American Chemical Society.

Most recently, Peti et al.225 have demonstrated the potential of pCoil for the chemical shift assignment of aromatic side-chain protons of proteins. Using the conserved hypothetical protein TM0979 from Thermotoga maritima, the authors demonstrated the sequence-specific backbone resonance assignments with < 500 pg of 13C15N-doubly labeled protein. 

McFeeters, R. L., Swapna, G. V. T., Montelione, G. T., and Oswald, R. E. (2002). Semi-automated backbone resonance assignments of the extracellular ligand-binding domain of an ionotropic glutamate receptor. /. Biomol. NMR 22, 297-298. 

Recently, multidimensional NMR has become a standard technique for the assignment of polymer resonances and for characterization of polymer microstructure. Two-dimensional and three-dimensional NMR have been useful for identification of resonances from trace structures such as block junctions, chain-ends, or chain branches that are usually obscured in ID-NMR spectra because of overlap with polymer backbone resonances. Complex spectral features are simplified... 

G. T. Montelione, C. B. Rios, G. V. T. Swapna and D. E. Zimmerman, NMR Pulse Sequences and Computational Approaches for Automated Analysis of Sequence-Specific Backbone Resonance Assignments of Proteins , p. 81... 

Modification of HNCA to suppress correlation through J(N,C ). Only intraresidue cross-peaks are observed Backbone resonance correlation for sequential assignments across Pro residues... 

Morelle, N., et al.. Computer Assignment of the Backbone Resonances of Labeled Proteins Using Two-Dimensional Correlation Experiments, J. Biomol. NMR, 5, 154,... 

Moseley, H.N.B., Monleon, D., and Montelione, G.T., Automatic Determination of Protein Backbone Resonance Assignments from Triple Resonance NMR Data, Methods in Enzymology, 339, 91, 2001. 

The partition of end groups and side branches between the crystalline and amorphous phases in polyethylene is determined by isolating the backbone resonances corresponding to the pure crystalline and amorphous phases by assuming as follows (1) the backbone methylene resonance profile may be used to separate the contribution from the crystalline and amorphous phases ... 

Liu D, Wang Y-S, Gesell JJ, Wilson E, Beyer BM, Wyss DF (2004) Backbone resonance assignments of the 45.3 kDa catalytic domain of human BACE1. J Biomol NMR 29 425 -26... 

The first two methods are heavily constrained on the available structural data. The assignment of, at least, protein backbone resonances is clearly the prerequisite to be achieved prior to a chemical optimization series. Lacking an assignment, the information obtained by NMR-based fragment identification and by their corresponding binding affinities can be transferred to X-ray crystallography to reduce the number of trials. 

Wen J, Wu JH, Zhou P (2011) Sparsely sampled high-resolution 4-D experiments for efficient backbone resonance assigirment of disordered proteins. J Magn Reson 209(1) 94-100... 

When the length of the polypeptide exceeds that of these single TM-helix constructs, TROSY-based experiments and uniform deuteration are usually used to obtain backbone assignments. In cases where spectral quality or complexity prevents straightforward assignment of backbone resonances from uniformly H-... 

Lohr F, Katsemi V, Hartleib J, Gunther U, Riiterjans H (2003) A strategy to obtain backbone resonance assignments of deuterated proteins in the presence of incomplete amide H/ H back-exchange. J Biomol NMR 25 291-311... 

---