AI Article Synopsis
- Mutations in proteins lead to structural changes that affect their biological function, with the impact varying based on where the mutation occurs.
- The paper presents a method using a two-step in silico protein folding model where the first structure is based on backbone conformation and the second on the hydrophobic core.
- By analyzing the structural changes in a set of antifreeze proteins, the study quantitatively measures how mutations alter the hydrophobic core organization using divergence entropy.
Article Abstract
Mutations in proteins introduce structural changes and influence biological activity: the specific effects depend on the location of the mutation. The simple method proposed in the present paper is based on a two-step model of in silico protein folding. The structure of the first intermediate is assumed to be determined solely by backbone conformation. The structure of the second one is assumed to be determined by the presence of a hydrophobic center. The comparable structural analysis of the set of mutants is performed to identify the mutant-induced structural changes. The changes of the hydrophobic core organization measured by the divergence entropy allows quantitative comparison estimating the relative structural changes upon mutation. The set of antifreeze proteins, which appeared to represent the hydrophobic core structure accordant with "fuzzy oil drop" model was selected for analysis.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3249532 | PMC |
| http://dx.doi.org/10.1007/s00894-011-1033-4 | DOI Listing |
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