International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 23.4, p. 630
Figure 23.4.3.5
aDepartment of Molecular and Structural Biochemistry, North Carolina State University, 128 Polk Hall, Raleigh, NC 02795, USA, and bRosenstiel Basic Medical Sciences Research Center, Brandeis University, 415 South St, Waltham, MA 02254, USA |
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Figure 23.4.3.5
Schematic illustration of water molecules bound in different types of grooves between protein and ligand. The hatched surfaces represent the ligand surface. (a) Water molecules bound in an indentation on the protein surface, where the protein surface area exposed to the water molecules is far larger than the ligand surface area; (b) water molecules bound in indentations on the ligand surface, where the ligand surface area exposed to the water molecule is larger than the protein surface area; (c) water molecules bound in shallow grooves at the protein–ligand interface and on the ligand surface; and (d) water molecules bound in clusters in elongated grooves with micro-grooves. Reprinted with permission from Poormina & Dean (1995c). Copyright (1995) Kluwer Academic Publishers. |