β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein.
Previous molecular dynamic simulations have reported elongation of the existing β-sheet in prion proteins. Detailed examination has shown that these elongations do not extend beyond the proline residues flanking these β-sheets. In addition, proline has also been suggested to possess a possible str...
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| Format: | Article |
| Language: | English |
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Biophysical Society
2007
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| Online Access: | http://eprints.utm.my/462/ http://eprints.utm.my/462/1/Flanking-2.pdf |
| _version_ | 1848889925471043584 |
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| author | Shamsir, Mohd Shahir Dalby, Andrew |
| author_facet | Shamsir, Mohd Shahir Dalby, Andrew |
| author_sort | Shamsir, Mohd Shahir |
| building | UTeM Institutional Repository |
| collection | Online Access |
| description | Previous molecular dynamic simulations have reported elongation of the existing β-sheet in prion proteins. Detailed examination has shown that these elongations do not extend beyond the proline residues flanking these β-sheets. In addition, proline has also been suggested to possess a possible structural role in preserving protein interaction sites by preventing invasion of neighbouring secondary structures. In this paper, we have studied the possible structural role of the flanling proline residues by simulating mutant structures with alternate substitution of the proline residues with valine. Simulations showed a directional inhibition of elongation with the elongation progressing in the direction of valine including evident inhibition of elongation by existing proline residues. This suggests that the flanking proline residues in prion proteins may have a containment role and would confine the β-sheet within a specific length. |
| first_indexed | 2025-11-15T20:33:55Z |
| format | Article |
| id | utm-462 |
| institution | Universiti Teknologi Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T20:33:55Z |
| publishDate | 2007 |
| publisher | Biophysical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | utm-4622010-06-01T02:44:38Z http://eprints.utm.my/462/ β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. Shamsir, Mohd Shahir Dalby, Andrew Q Science (General) QH301 Biology Previous molecular dynamic simulations have reported elongation of the existing β-sheet in prion proteins. Detailed examination has shown that these elongations do not extend beyond the proline residues flanking these β-sheets. In addition, proline has also been suggested to possess a possible structural role in preserving protein interaction sites by preventing invasion of neighbouring secondary structures. In this paper, we have studied the possible structural role of the flanling proline residues by simulating mutant structures with alternate substitution of the proline residues with valine. Simulations showed a directional inhibition of elongation with the elongation progressing in the direction of valine including evident inhibition of elongation by existing proline residues. This suggests that the flanking proline residues in prion proteins may have a containment role and would confine the β-sheet within a specific length. Biophysical Society 2007-03-15 Article PeerReviewed application/pdf en http://eprints.utm.my/462/1/Flanking-2.pdf Shamsir, Mohd Shahir and Dalby, Andrew (2007) β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. Biophysical Journal, 92 . pp. 2080-2089. http://www.biophysj.org/cgi/content/abstract/92/6/2080 10.1529/biophysj.106.092320 |
| spellingShingle | Q Science (General) QH301 Biology Shamsir, Mohd Shahir Dalby, Andrew β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. |
| title | β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. |
| title_full | β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. |
| title_fullStr | β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. |
| title_full_unstemmed | β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. |
| title_short | β-sheet containment by flanking prolines: Molecular Dynamic Simulations of the inhibition of β-sheet elongation by proline residues in human prion protein. |
| title_sort | î²-sheet containment by flanking prolines: molecular dynamic simulations of the inhibition of î²-sheet elongation by proline residues in human prion protein. |
| topic | Q Science (General) QH301 Biology |
| url | http://eprints.utm.my/462/ http://eprints.utm.my/462/ http://eprints.utm.my/462/ http://eprints.utm.my/462/1/Flanking-2.pdf |