Epistructural tension promotes protein associations.
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.
Instituto Argentino de Matemática, CONICET (National Research Council), Saavedra 15, 1083 Buenos Aires, Argentina. ariel@uchicago.edu
Ariel
A
Fernández
D006801:Humans; D007328:Insulin / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D013499:Surface Properties; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
D007328:Insulin; D011506:Proteins; D014867:Water