[NMR paper] Rapid identification of ligand-binding sites by using an assignment-free NMR approach.

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Rapid identification of ligand-binding sites by using an assignment-free NMR approach.

Related Articles Rapid identification of ligand-binding sites by using an assignment-free NMR approach.

J Med Chem. 2013 Oct 30;

Authors: Kodama Y, Takeuchi K, Shimba N, Ishikawa K, Suzuki EI, Shimada I, Takahashi H

Abstract
In this study, we developed an assignment-free approach for rapid identification of ligand-binding sites in target proteins by using NMR. With a sophisticated cell-free stable isotope-labeling procedure that introduces (15)N- or (13)C-labels to specific atoms of target proteins, this approach requires only a single series of ligand titrations with labeled targets. Using titration data, ligand-binding sites in the target protein can be identified without time-consuming assignment procedures. We demonstrated the feasibility of this approach by using structurally well-characterized interactions between mitogen-activated protein (MAP) kinase p38? and its inhibitor 2-amino-3-benzyloxypyridine. Furthermore, we confirmed the recently proposed fatty acid binding to p38? and confirmed the fatty acid-binding site in the MAP kinase insert region.


PMID: 24171460 [PubMed - as supplied by publisher]



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