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Protein tertiary structure and the myoglobin phase diagram
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). Far Eastern Federal University, Russia; Institut Denis Poisson, France; Beijing Institute of Technology, People’s Republic of China.
Number of Authors: 32019 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 9, article id 10819Article in journal (Refereed) Published
Abstract [en]

We develop an effective theory approach to investigate the phase properties of globular proteins. Instead of interactions between individual atoms or localized interaction centers, the approach builds directly on the tertiary structure of a protein. As an example we construct the phase diagram of (apo) myoglobin with temperature (T) and acidity (pH) as the thermodynamical variables. We describe how myoglobin unfolds from the native folded state to a random coil when temperature and acidity increase. We confirm the presence of two molten globule folding intermediates, and we predict an abrupt transition between the two when acidity changes. When temperature further increases we find that the abrupt transition line between the two molten globule states terminates at a tricritical point, where the helical structures fade away. Our results also suggest that the ligand entry and exit is driven by large scale collective motions that destabilize the myoglobin F-helix.

Place, publisher, year, edition, pages
2019. Vol. 9, article id 10819
National Category
Biological Sciences
Identifiers
URN: urn:nbn:se:su:diva-172006DOI: 10.1038/s41598-019-47317-yISI: 000477015300044PubMedID: 31346242OAI: oai:DiVA.org:su-172006DiVA, id: diva2:1346985
Available from: 2019-08-29 Created: 2019-08-29 Last updated: 2019-08-29Bibliographically approved

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