Abstract:
:With its about 100,000 three-dimensional structures, the Protein Data Bank is a copious source of information: it contains also some hundreds of structures of macromolecules complexed with lanthanide cations, which are examined here. These cations, which are found in a wide variety of protein types, were introduced to determine the structures, by exploiting their anomalous dispersion (in crystallographic studies, where they are also used as crystallization additives) or the paramagnetic pseudocontact shifts (in NMR analyses). The coordination numbers in the first coordination sphere are very variable, though they tend to be close to those that are observed in small molecules or in water solution. The coordination polyhedra are also quite variable as it can be expected for large cations. Interestingly, lanthanide cations are frequently observed in packing bridges between symmetry equivalent molecules in crystals, where they tend to form polynuclear complexes, with up to seven cations bridged by water/hydroxide ligands.
journal_name
J Inorg Biochemjournal_title
Journal of inorganic biochemistryauthors
Djinovic-Carugo K,Carugo Odoi
10.1016/j.jinorgbio.2014.12.005subject
Has Abstractpub_date
2015-02-01 00:00:00pages
69-76eissn
0162-0134issn
1873-3344pii
S0162-0134(14)00298-0journal_volume
143pub_type
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