International Tables for Crystallography (2012). Vol. F, ch. 23.6, pp. 821-826
doi: 10.1107/97809553602060000895

Chapter 23.6. Halogen interactions in biomolecular crystal structures

Contents

  • 23.6. Halogen interactions in biomolecular crystal structures  (pp. 821-826) | html | pdf | chapter contents |
    • 23.6.1. Introduction  (p. 821) | html | pdf |
    • 23.6.2. Classical treatment of halogen interactions  (pp. 821-822) | html | pdf |
      • 23.6.2.1. Non-specific hydrophobic effects  (p. 821) | html | pdf |
      • 23.6.2.2. Substituent effects  (pp. 821-822) | html | pdf |
    • 23.6.3. Electrostatic molecular halogen interactions  (pp. 822-825) | html | pdf |
      • 23.6.3.1. Biological halogen bonds  (pp. 822-825) | html | pdf |
      • 23.6.3.2. Other halogen-specific electrostatic interactions in biological macromolecules  (p. 825) | html | pdf |
    • 23.6.4. Concluding remarks  (p. 825) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 23.6.1.1. Examples of electrostatic interactions of halogenated ligands with proteins  (p. 821) | html | pdf |
      • Fig. 23.6.3.1. The single-crystal structure of the DNA sequence d(CCAGTACbrUGG), where brU is 5-bromouracil (Br atom shown as a sphere), as a four-stranded Holliday junction  (p. 822) | html | pdf |
      • Fig. 23.6.3.2. Properties of halogen bonds  (p. 823) | html | pdf |
      • Fig. 23.6.3.3. The orthogonal relationship between hydrogen bonds and X bonds that share common carbonyl O atoms as acceptors  (p. 824) | html | pdf |
      • Fig. 23.6.3.4. Competition assay to measure the energies of X bonds versus hydrogen bonds using a DNA junction  (p. 824) | html | pdf |
    • Tables
      • Table 23.6.1.1. Interactions in crystal structures in the Protein Data Bank  (p. 822) | html | pdf |
      • Table 23.6.2.1. Physical properties of molecular halogens  (p. 822) | html | pdf |