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International Tables for Crystallography (2012). Vol. F. ch. 23.5, pp. 800-820
https://doi.org/10.1107/97809553602060000894 |
Chapter 23.5. Solvent structure
Contents
- 23.5. Solvent structure (pp. 800-820) | html | pdf | chapter contents |
- 23.5.1. Introduction (pp. 800-801) | html | pdf |
- 23.5.2. Determination of water molecules (pp. 801-802) | html | pdf |
- 23.5.3. Structural features of protein–water interactions derived from database analysis (pp. 802-808) | html | pdf |
- 23.5.3.1. Water distribution around the individual amino-acid residues in protein structures (pp. 802-805) | html | pdf |
- 23.5.3.2. The effect of secondary structure on protein–water interactions (pp. 805-806) | html | pdf |
- 23.5.3.3. The effect of tertiary structure on protein–water interactions (pp. 806-807) | html | pdf |
- 23.5.3.4. Water mediation of protein–ligand interactions (pp. 807-808) | html | pdf |
- 23.5.4. Water structure in groups of well studied proteins (pp. 808-814) | html | pdf |
- 23.5.5. The classic models: small proteins with high-resolution crystal structures (pp. 814-815) | html | pdf |
- 23.5.6. Water molecules as mediators of complex formation (pp. 815-817) | html | pdf |
- 23.5.7. Conclusions and future perspectives (pp. 817-818) | html | pdf |
- References | html | pdf |
- Figures
- Fig. 23.5.3.1. Distribution of water-molecule sites (p. 803) | html | pdf |
- Fig. 23.5.3.2. Distribution of atomic hydration values (p. 804) | html | pdf |
- Fig. 23.5.3.3. Diagram of edge (W1), end (W2) and middle (W3) categories of interactions of water molecules with main-chain atoms in antiparallel β-sheets (p. 805) | html | pdf |
- Fig. 23.5.3.4. Diagram of the hydrogen bonds in the α-helical structure in actinidin (p. 806) | html | pdf |
- Fig. 23.5.3.5. Schematic illustration of water molecules bound in different types of grooves between protein and ligand (p. 807) | html | pdf |
- Fig. 23.5.4.1. Stereoview of the set of 21 highly conserved buried waters in eukaryotic serine proteases (p. 808) | html | pdf |
- Fig. 23.5.4.2. View of the 33 conserved hydration sites in the lentil lectin crystal structures superimposed on the backbone of the lentil lectin dimer (p. 809) | html | pdf |
- Fig. 23.5.4.3. A
![[2F_{o} - F_{c}]](/teximages/fach19o1/fach19o1fi1.svg)
electron-density map contoured at the 1.2σ level shows a distinct ellipsoidal density for acetonitrile 707 and a spherical density for a nearby water molecule (p. 809) | html | pdf | - Fig. 23.5.4.4. Crystal structure of porcine pancreatic elastase represented as a ribbon diagram using MOLSCRIPT (Kraulis, 1991) (p. 810) | html | pdf |
- Fig. 23.5.4.5. Elastase structure represented as in Fig. 23.5.4.4. The crystallographic water molecules found in channels in 11 superimposed elastase structures solved in a variety of solvents are shown in yellow (p. 811) | html | pdf |
- Fig. 23.5.4.6. Elastase structure represented as in Fig. 23.5.4.4. The crystallographic water molecules involved in crystal contacts in 11 superimposed elastase structures solved in a variety of solvents are shown in green (p. 811) | html | pdf |
- Fig. 23.5.4.7. Elastase structure represented as in Fig. 23.5.4.4. The surface crystallographic water molecules found in 11 superimposed elastase structures solved in a variety of solvents are shown in blue (p. 811) | html | pdf |
- Fig. 23.5.4.8. Elastase structure represented as in Fig. 23.5.4.4. The 1661 water molecules found in 11 superimposed elastase structures of elastase are colour-coded as in Figs. 23.5.4.4–23.5.4.7 (p. 812) | html | pdf |
- Fig. 23.5.4.9. Distribution of solvent-binding sites in 18 mutant T4 lysozymes from ten refined crystal structures (p. 812) | html | pdf |
- Fig. 23.5.4.10. Three-dimensional structure of RNase T1 (p. 813) | html | pdf |
- Fig. 23.5.4.11. Overall structure of RNase A (p. 813) | html | pdf |
- Fig. 23.5.5.1. van der Waals surface diagram of the water pentagons A, C, D and E in crambin viewed in the negative a direction (p. 815) | html | pdf |
- Fig. 23.5.6.1. Scapharca HbI interface water molecules (p. 817) | html | pdf |
- Tables