期刊
JOURNAL OF BIOMOLECULAR NMR
卷 62, 期 3, 页码 353-371出版社
SPRINGER
DOI: 10.1007/s10858-015-9951-6
关键词
Paramagnetic NMR; Residual dipolar couplings; Two-domain proteins; Protein mobility; Conformational variability
资金
- Ente Cassa di Risparmio di Firenze
- MIUR PRIN [2012SK7ASN]
- NIH [GM065334]
- European Commission [284209, 317127]
- Instruct, part of the European Strategy Forum on Research Infrastructures (ESFRI)
Long-range NMR data, namely residual dipolar couplings (RDCs) from external alignment and paramagnetic data, are becoming increasingly popular for the characterization of conformational heterogeneity of multidomain biomacromolecules and protein complexes. The question addressed here is how much information is contained in these averaged data. We have analyzed and compared the information content of conformationally averaged RDCs caused by steric alignment and of both RDCs and pseudocontact shifts caused by paramagnetic alignment, and found that, despite the substantial differences, they contain a similar amount of information. Furthermore, using several synthetic tests we find that both sets of data are equally good towards recovering the major state(s) in conformational distributions.
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