- Tytuł:
- Protein modeling with reduced representation: statistical potentials and protein folding mechanism
- Autorzy:
-
Ekonomiuk, Dariusz
Kielbasinski, Marcin
Kolinski, Andrzej - Powiązania:
- https://bibliotekanauki.pl/articles/1041306.pdf
- Data publikacji:
- 2005
- Wydawca:
- Polskie Towarzystwo Biochemiczne
- Tematy:
-
B1 domain of protein G
statistical potentials
folding mechanism
Monte Carlo simulations
high resolution lattice proteins
protein folding - Opis:
- A high resolution reduced model of proteins is used in Monte Carlo dynamics studies of the folding mechanism of a small globular protein, the B1 immunoglobulin-binding domain of streptococcal protein G. It is shown that in order to reproduce the physics of the folding transition, the united atom based model requires a set of knowledge-based potentials mimicking the short-range conformational propensities and protein-like chain stiffness, a model of directional and cooperative hydrogen bonds, and properly designed knowledge-based potentials of the long-range interactions between the side groups. The folding of the model protein is cooperative and very fast. In a single trajectory, a number of folding/unfolding cycles were observed. Typically, the folding process is initiated by assembly of a native-like structure of the C-terminal hairpin. In the next stage the rest of the four-ribbon β-sheet folds. The slowest step of this pathway is the assembly of the central helix on the scaffold of the β-sheet.
- Źródło:
-
Acta Biochimica Polonica; 2005, 52, 4; 741-748
0001-527X - Pojawia się w:
- Acta Biochimica Polonica
- Dostawca treści:
- Biblioteka Nauki
Artykuł