Exploration of the supramolecular interactions involving tris-dipicolinate lanthanide complexes in protein crystals by a combined biostructural, computational and NMR study.

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Dumont, Elise | Pompidor, Guillaume | d'Aléo, Anthony | Vicat, Jean | Toupet, Loic | Kahn, Richard | Girard, Eric | Maury, Olivier | Giraud, Nicolas

Edité par CCSD ; Royal Society of Chemistry -

International audience. Incorporating in a non-covalent manner lanthanide derivatives into protein crystals has shown to be of prime interest for X-ray crystallography, insofar as these versatile compounds can co-crystallize with proteins through supramolecular interactions, in addition to being strong anomalous scatterers for anomalous-based diffraction techniques. In this paper, the selective affinity of tris-dipicolinate lanthanide complexes for cationic amino-acid residues is explored, using a panel of experimental (X-ray diffraction, NMR titration) and theoretical methods that provides access to an accurate description of the interaction process.

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