Structural biology of the lanthanides-mining rare earths in the Protein Data Bank.

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 Biochem

authors

Djinovic-Carugo K,Carugo O

doi

10.1016/j.jinorgbio.2014.12.005

subject

Has Abstract

pub_date

2015-02-01 00:00:00

pages

69-76

eissn

0162-0134

issn

1873-3344

pii

S0162-0134(14)00298-0

journal_volume

143

pub_type

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