Protein surface roughness and small molecular binding sites.

F K Pettit; J U Bowie

doi:10.1006/jmbi.1998.2411

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PubMed · 9917382

Protein surface roughness and small molecular binding sites.

F K Pettit·J U Bowie

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Abstract

Pharmaceutical design is usually directed at developing small molecules that can specifically bind and alter the activity of a target protein. Here, we show that high-affinity binding of small molecules requires a rough patch on a protein surface. Drug design strategies should therefore be targeted to rough areas on a protein. Our results indicate that the roughness of small functional sites may reflect the complex local shapes needed to fit specific interactions into small areas.

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Binding Sites Chemical Phenomena Chemistry, Physical Drug Design Fractals Models, Chemical Protein Binding Proteins Surface Properties Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.

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F K Pettit, J U Bowie. 1999-01-29. Protein surface roughness and small molecular binding sites.. https://doi.org/10.1006/jmbi.1998.2411

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