Zanotti, Giuseppe Vallese, Francesca Ferrari, Alberto Menozzi, Ilaria E. Saldaño, Tadeo Berto, Paola Fernandez-Alberti, Sebastian Berni, Rodolfo Ligand-binding cavities and their corresponding thermal fluctuations. <p>Ligand cavities are defined according to (a) the 33 residues per subunit and (b) only the 10 buried residues, all listed in <b><a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0187716#pone.0187716.t004" target="_blank">Table 4</a></b>. The corresponding distributions of volumes, calculated for a large number of structures representing thermal distortions of the crystal structure of the wild type ligand-free TTR tetramer (PDB 1F41), are depicted as kernel density plots for the cavities either at the A-A’ or at B-B’ (bold) interfaces, respectively.</p> multimeric proteins;crystal forms;case study;dynamics evidence;TTR tetramer dynamics;crystal state;TTR tetramer;solution;dimer-dimer interface;X-ray diffraction techniques;binding sites;tetrameric protein;T 4 binding sites;modes analysis;flexibility;transthyretin tetramer;thyroid hormone thyroxine;ligand cavities;crystal structure;D 2 symmetry;binding cooperativity;homotetrameric plasma transport protein;87M;latter property;TTR scaffold;vibrational patterns 2017-12-14
    https://plos.figshare.com/articles/figure/Ligand-binding_cavities_and_their_corresponding_thermal_fluctuations_/5704528
10.1371/journal.pone.0187716.g004