Theory for the folding and stability of globular proteins.

Abstract:

:Using lattice statistical mechanics, we develop theory to account for the folding of a heteropolymer molecule such as a protein to the globular and soluble state. Folding is assumed to be driven by the association of solvophobic monomers to avoid solvent and opposed by the chain configurational entropy. Theory predicts a phase transition as a function of temperature or solvent character. Molecules that are too short or too long or that have too few solvophobic residues are predicted not to fold. Globular molecules should have a largely solvophobic core, but there is an entropic tendency for some residues to be "out of place", particularly in small molecules. For long chains, molecules comprised of globular domains are predicted to be thermodynamically more stable than spherical molecules. The number of accessible conformations in the globular state is calculated to be an exceedingly small fraction of the number available to the random coil. Previous estimates of this number, which have motivated kinetic theories of folding, err by many tens of orders of magnitude.

journal_name

Biochemistry

journal_title

Biochemistry

authors

Dill KA

doi

10.1021/bi00327a032

subject

Has Abstract

pub_date

1985-03-12 00:00:00

pages

1501-9

issue

6

eissn

0006-2960

issn

1520-4995

journal_volume

24

pub_type

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