Artículo
Accounting for a mirror-image conformation as a subtle effect in protein folding
Kachlishvili, Khatuna; Maisuradze, Gia G.; Martín, Osvaldo Antonio
; Liwo, Adam; Vila, Jorge Alberto
; Scheraga, Harold A.
Fecha de publicación:
06/2014
Editorial:
National Academy of Sciences
Revista:
Proceedings of the National Academy of Sciences of The United States of America
ISSN:
0027-8424
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
By using local (free-energy profiles along the amino acid sequence and 13Cα chemical shifts) and global (principal component) analyses to examine the molecular dynamics of protein-folding trajectories, generated with the coarse-grained united-residue force field, for the B domain of staphylococcal protein A, we are able to (i) provide the main reason for formation of the mirror-image conformation of this protein, namely, a slow formation of the second loop and part of the third helix (Asp29?Asn35), caused by the presence of multiple local conformational states in this portion of the protein; (ii) show that formation of the mirror-image topology is a subtle effect resulting from local interactions; (iii) provide a mechanism for how protein A overcomes the barrier between the metastable mirror-image state and the native state; and (iv)<br />offer a plausible reason to explain why protein A does not remain in the metastable mirror-image state even though the mirror-image and native conformations are at least energetically compatible
Palabras clave:
Missfolding
,
Symetrical Proteins
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Articulos(IMASL)
Articulos de INST. DE MATEMATICA APLICADA DE SAN LUIS
Articulos de INST. DE MATEMATICA APLICADA DE SAN LUIS
Citación
Scheraga, Harold A.; Vila, Jorge Alberto; Liwo, Adam; Martín, Osvaldo Antonio; Maisuradze, Gia G.; Kachlishvili, Khatuna; et al.; Accounting for a mirror-image conformation as a subtle effect in protein folding; National Academy of Sciences; Proceedings of the National Academy of Sciences of The United States of America; 111; 23; 6-2014; 8458-8463
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