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A Folding Pathway Model of Mini-Protein BBA5
Joint Authors
Lee, In-Ho
Kim, Seung-Yeon
Lee, Jooyoung
Source
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-09-20
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Abstract EN
We present the folding pathway model of mini-protein BBA5, a bundle of secondary structures, α-helix and β-hairpin, by using action-derived molecular dynamics (ADMD) simulations.
From ten independent ADMD simulations, we extracted common features of the folding pathway of BBA5, from which we found that the early stage chain compaction was followed by the formation of C-terminal α-helix.
The N-terminal β-hairpin was observed to form only after α-helix was stabilized.
This result is in good agreement with the experimental observation that BBA5 mutants were moderately cooperative folders, and their C-terminal helical fragments were of higher secondary structure propensity while the N-terminal hairpin fragments were of a random coil spectrum.
We found that the most flexible part of BBA5 is the N-terminal four residues.
Although both are made of the identical ββα motif, the secondary structure formation sequence of BBA5 is found to be different from that of FSD-1.
Finally, a description of the folding pathway in terms of principal component analysis is presented to characterize the folding dynamics in reduced dimensions.
With only three principal components, we were able to describe 83.4% of the pathway.
American Psychological Association (APA)
Lee, In-Ho& Kim, Seung-Yeon& Lee, Jooyoung. 2015. A Folding Pathway Model of Mini-Protein BBA5. BioMed Research International،Vol. 2015, no. 2015, pp.1-9.
https://search.emarefa.net/detail/BIM-1056899
Modern Language Association (MLA)
Lee, In-Ho…[et al.]. A Folding Pathway Model of Mini-Protein BBA5. BioMed Research International No. 2015 (2015), pp.1-9.
https://search.emarefa.net/detail/BIM-1056899
American Medical Association (AMA)
Lee, In-Ho& Kim, Seung-Yeon& Lee, Jooyoung. A Folding Pathway Model of Mini-Protein BBA5. BioMed Research International. 2015. Vol. 2015, no. 2015, pp.1-9.
https://search.emarefa.net/detail/BIM-1056899
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1056899