International Tables for Crystallography

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Halogen interactions in biomolecular crystal structures
M. J. Vallejos, P. Auffinger and P. S. Ho. International Tables for Crystallography (2012). Vol. F, ch. 23.6, pp. 821-826  [ doi:10.1107/97809553602060000895 ]

Abstract

Electron-rich halogens are increasingly seen in biomolecular structures, particularly as they become incorporated into proteins and nucleic acids to facilitate phasing of X-ray diffraction data, and into ligands to increase their efficacies as inhibitors and drugs. Recently, we have had to reassess our basic understanding of how halogens contribute to the structures and stabilities of biological macromolecules and their complexes, with the recognition of new classes of non-covalent interactions that are available to the Group IV atoms and a rekindled interest in halogen bonds. We review here the current understanding of the molecular properties of halogens and how these contribute to the variety of non-covalent interactions seen in halogenated molecules that are important in biology.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.