Tables for
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

International Tables for Crystallography (2006). Vol. F. ch. 23.4, p. 630   | 1 | 2 |


C. Mattosa* and D. Ringeb

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
Correspondence e-mail:


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[link]). Copyright (1995) Kluwer Academic Publishers.