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Phys Rev Lett. 2012 May 4;108(18):188102. Epub 2012 May 4.

Epistructural tension promotes protein associations.

Author information

1
Instituto Argentino de Matemática, CONICET (National Research Council), Saavedra 15, 1083 Buenos Aires, Argentina. ariel@uchicago.edu

Abstract

Epistructural tension is the reversible work per unit area required to span the aqueous interface of a soluble protein structure. The parameter accounts for the free-energy cost of imperfect hydration, involving water molecules with a shortage of hydrogen-bonding partnerships relative to bulk levels. The binding hot spots along protein-protein interfaces are identified with residues that contribute significantly to the epistructural tension in the free subunits. Upon association, such residues either displace or become deprived of low-coordination vicinal water molecules.

PMID:
22681121
DOI:
10.1103/PhysRevLett.108.188102
[Indexed for MEDLINE]

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