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How does an amorphous surface influence molecular binding? – ovocleidin-17 and amorphous calcium carbonate
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Freeman, Colin L., Harding, John H., Quigley, David and Rodge, P. Mark (2015) How does an amorphous surface influence molecular binding? – ovocleidin-17 and amorphous calcium carbonate. Physical Chemistry Chemical Physics, 17 (26). pp. 17494-17500. doi:10.1039/c5cp00434a ISSN 1463-9076.
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Official URL: http://dx.doi.org/10.1039/C5CP00434A
Abstract
Atomistic molecular dynamics simulations of dehydrated amorphous calcium carbonate interacting with the protein ovocleidin-17 are presented. These simulations demonstrate that the amorphisation of the calcium carbonate surface removes water structure from the surface. This reduction of structure allows the protein to bind with many residues, unlike on crystalline surfaces where binding is strongest when only a few residues are attached to the surface. Basic residues are observed to dominate the binding interactions. The implications for protein control over crystallisation are discussed.
| Item Type: | Journal Article | ||||||||
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| Subjects: | Q Science > QH Natural history Q Science > QP Physiology |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing |
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| Library of Congress Subject Headings (LCSH): | Biomineralization, Biomolecules, Protein binding | ||||||||
| Journal or Publication Title: | Physical Chemistry Chemical Physics | ||||||||
| Publisher: | Royal Society of Chemistry | ||||||||
| ISSN: | 1463-9076 | ||||||||
| Official Date: | 26 May 2015 | ||||||||
| Dates: |
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| Volume: | 17 | ||||||||
| Number: | 26 | ||||||||
| Page Range: | pp. 17494-17500 | ||||||||
| DOI: | 10.1039/c5cp00434a | ||||||||
| Status: | Peer Reviewed | ||||||||
| Publication Status: | Published | ||||||||
| Date of first compliant deposit: | 2 September 2016 | ||||||||
| Date of first compliant Open Access: | 2 September 2016 | ||||||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) | ||||||||
| Grant number: | EP/I001514/1; EP/D504872 | ||||||||
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| Open Access Version: |
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