Protein–Ligand Interactions: Energetic Contributions and Shape Complementarity

Abstract

Protein–ligand interactions include two components: energetic contributions and shape complementarity.

Keywords: hydrophobic effect; hydrogen bonds; shape complementarity; molecular recognition; receptor–ligand interactions

Figure 1.

Examples of protein–protein interfaces. (a) Cytochrome C′ (PDB code 1bbhAB) displays a strong hydrophobic effect. The two chains are displayed in different colours and the backbones of the amino acids belonging to the interface are shown in darker colours. Only the side‐chain of the residues which are actually in contact across the interface as well as on the surface are drawn. The hydrophobic residues are yellow and hydrophilic residues are in cyan.

Figure 2.

Barnase barstar complex (PDB code 1bgsBF) displays a weak hydrophobic effect. The colour scheme is the same as in Figure .

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Tsai, Chung‐Jung, Norel, Raquel, Wolfson, Haim J, Maizel, Jacob V, and Nussinov, Ruth(Apr 2001) Protein–Ligand Interactions: Energetic Contributions and Shape Complementarity. In: eLS. John Wiley & Sons Ltd, Chichester. http://www.els.net [doi: 10.1038/npg.els.0001343]