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BMCBI
2010

SAMPLEX: Automatic mapping of perturbed and unperturbed regions of proteins and complexes

13 years 3 months ago
SAMPLEX: Automatic mapping of perturbed and unperturbed regions of proteins and complexes
Background: The activity of proteins within the cell is characterized by their motions, flexibility, interactions or even the particularly intriguing case of partially unfolded states. In the last two cases, a part of the protein is affected either by binding or unfolding and the detection of the respective perturbed and unperturbed region(s) is a fundamental part of the structural characterization of these states. This can be achieved by comparing experimental data of the same protein in two different states (bound/unbound, folded/unfolded). For instance, measurements of chemical shift perturbations (CSPs) from NMR 1 H-15 N HSQC experiments gives an excellent opportunity to discriminate both moieties. Results: We describe an innovative, automatic and unbiased method to distinguish perturbed and unperturbed regions in a protein existing in two distinct states (folded/partially unfolded, bound/unbound). The SAMPLEX program takes as input a set of data and the corresponding three-dimens...
Mickaël Krzeminski, Karine Loth, Rolf Boelens
Added 08 Dec 2010
Updated 08 Dec 2010
Type Journal
Year 2010
Where BMCBI
Authors Mickaël Krzeminski, Karine Loth, Rolf Boelens, Alexandre M. J. J. Bonvin
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