Chapter 23.6 Halogen interactions in biomolecular crystal structures
Crystallography of biological macromolecules
Second Online Edition (2012)
Part 23. Structural analysis and classification
Published Online: 14 APR 2012
© International Union of Crystallography 2006
International Tables for Crystallography
How to Cite
Vallejos, M. J., Auffinger, P. and Ho, P. S. 2012. Halogen interactions in biomolecular crystal structures. International Tables for Crystallography. 821–826.
- Published Online: 14 APR 2012
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.
- halogen interactions;
- aromatic halogen bonds;
- halogen‐bond acceptors;
- halogen‐bond geometries