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International Tables for Crystallography (2006). Vol. F. ch. 23.4, pp. 623-647
https://doi.org/10.1107/97809553602060000717 |
Chapter 23.4. Solvent structure
Contents
- 23.4. Solvent structure (pp. 623-647) | html | pdf | chapter contents |
- 23.4.1. Introduction (pp. 623-624) | html | pdf |
- 23.4.2. Determination of water molecules (pp. 624-625) | html | pdf |
- 23.4.3. Structural features of protein–water interactions derived from database analysis (pp. 625-630) | html | pdf |
- 23.4.3.1. Water distribution around the individual amino-acid residues in protein structures (pp. 625-627) | html | pdf |
- 23.4.3.2. The effect of secondary structure on protein–water interactions (pp. 627-629) | html | pdf |
- 23.4.3.3. The effect of tertiary structure on protein–water interactions (p. 629) | html | pdf |
- 23.4.3.4. Water mediation of protein–ligand interactions (pp. 629-630) | html | pdf |
- 23.4.4. Water structure in groups of well studied proteins (pp. 630-637) | html | pdf |
- 23.4.5. The classic models: small proteins with high-resolution crystal structures (pp. 637-638) | html | pdf |
- 23.4.6. Water molecules as mediators of complex formation (pp. 638-640) | html | pdf |
- 23.4.7. Conclusions and future perspectives (p. 640) | html | pdf |
- References | html | pdf |
- Figures
- Fig. 23.4.3.1. Distribution of water-molecule sites (p. 626) | html | pdf |
- Fig. 23.4.3.2. Distribution of atomic hydration values (p. 627) | html | pdf |
- Fig. 23.4.3.3. Diagram of edge (W1), end (W2) and middle (W3) categories of interactions of water molecules with main-chain atoms in antiparallel β-sheets (p. 628) | html | pdf |
- Fig. 23.4.3.4. Diagram of the hydrogen bonds in the α-helical structure in actinidin (p. 628) | html | pdf |
- Fig. 23.4.3.5. Schematic illustration of water molecules bound in different types of grooves between protein and ligand (p. 630) | html | pdf |
- Fig. 23.4.4.1. Stereoview of the set of 21 highly conserved buried waters in eukaryotic serine proteases (p. 631) | html | pdf |
- Fig. 23.4.4.2. View of the 33 conserved hydration sites in the lentil lectin crystal structures superimposed on the backbone of the lentil lectin dimer (p. 631) | html | pdf |
- Fig. 23.4.4.3. 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. 632) | html | pdf | - Fig. 23.4.4.4. Crystal structure of porcine pancreatic elastase represented as a ribbon diagram using MOLSCRIPT (Kraulis, 1991) (p. 633) | html | pdf |
- Fig. 23.4.4.5. Elastase structure represented as in Fig. 23.4.4.4. The crystallographic water molecules found in channels in 11 superimposed elastase structures solved in a variety of solvents are shown in yellow (p. 633) | html | pdf |
- Fig. 23.4.4.6. Elastase structure represented as in Fig. 23.4.4.4. The crystallographic water molecules involved in crystal contacts in 11 superimposed elastase structures solved in a variety of solvents are shown in green (p. 634) | html | pdf |
- Fig. 23.4.4.7. Elastase structure represented as in Fig. 23.4.4.4. The surface crystallographic water molecules found in 11 superimposed elastase structures solved in a variety of solvents are shown in blue (p. 634) | html | pdf |
- Fig. 23.4.4.8. Elastase structure represented as in Fig. 23.4.4.4. The 1661 water molecules found in 11 superimposed elastase structures of elastase are colour-coded as in Figs. 23.4.4.4 –23.4.4.7 (p. 634) | html | pdf |
- Fig. 23.4.4.9. Distribution of solvent-binding sites in 18 mutant T4 lysozymes from ten refined crystal structures (p. 635) | html | pdf |
- Fig. 23.4.4.10. Three-dimensional structure of RNase T1 (p. 636) | html | pdf |
- Fig. 23.4.4.11. Overall structure of RNase A (p. 636) | html | pdf |
- Fig. 23.4.5.1. van der Waals surface diagram of the water pentagons A, C, D and E in crambin viewed in the negative a direction (p. 637) | html | pdf |
- Fig. 23.4.6.1. Scapharca HbI interface water molecules (p. 639) | html | pdf |
- Tables