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dc.contributor.authorEngilberge, Sylvain
dc.contributor.authorRennie, Martin L.
dc.contributor.authorDumon, Elise
dc.contributor.authorCrowley, Peter B.
dc.date.accessioned2020-02-19T14:32:07Z
dc.date.issued2019-09-06
dc.identifier.citationEngilberge, Sylvain, Rennie, Martin L., Dumont, Elise, & Crowley, Peter B. (2019). Tuning Protein Frameworks via Auxiliary Supramolecular Interactions. ACS Nano, 13(9), 10343-10350. doi: 10.1021/acsnano.9b04115en_IE
dc.identifier.issn1936-086X
dc.identifier.urihttp://hdl.handle.net/10379/15791
dc.description.abstractProtein crystals with their precise, periodic array of functional building blocks have potential applications in biomaterials, sensing, and catalysis. This paper describes how a highly porous crystalline framework of a cationic redox protein and an anionic macrocycle can be modulated by a small cationic effector. Ternary composites of protein (∼13 kDa), calix[8]arene (∼1.5 kDa), and effector (∼0.2 kDa) formed distinct crystalline architectures, dependent on the effector concentration and the crystallization technique. A combination of X-ray crystallography and density functional theory (DFT) calculations was used to decipher the framework variations, which appear to be dependent on a calixarene conformation change mediated by the effector. This “switch” calixarene was observed in three states, each of which is associated with a different interaction network. Two structures obtained by co-crystallization with the effector contained an additional protein “pillar”, resulting in framework duplication and decreased porosity. These results suggest how protein assembly can be engineered by supramolecular host–guest interactions.en_IE
dc.description.sponsorshipThis research was supported by NUI Galway, the SYSPROD project (AXELERA Pôle de Compétitivité) and Science Foundation Ireland (Grant No. 13/CDA/2168 to PBC). We thank SOLEIL synchrotron (Paris) for beam time allocation, and the staff at beamline PROXIMA-2A for their assistance with data collection.en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherAmerican Chemical Societyen_IE
dc.relation.ispartofACS Nanoen
dc.subjectbiomaterialsen_IE
dc.subjectmacrocycleen_IE
dc.subjectmolecular switchen_IE
dc.subjectself-assemblyen_IE
dc.subjectspermineen_IE
dc.titleTuning protein frameworks via auxiliary supramolecular interactionsen_IE
dc.typeArticleen_IE
dc.date.updated2020-02-17T11:09:06Z
dc.identifier.doi10.1021/acsnano.9b04115
dc.local.publishedsourcehttps://doi.org/10.1021/acsnano.9b04115en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funderNational University of Ireland, Galwayen_IE
dc.contributor.funderAXELERA Pôle de Compétitivitéen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.description.embargo2020-09-06
dc.internal.rssid19875902
dc.local.contactPeter Bernard Crowley, Chemistry, Room 115, Arts/Science Building, Nui Galway. 2480 Email: peter.crowley@nuigalway.ie
dc.local.copyrightcheckedYes
dc.local.versionACCEPTED
dcterms.projectinfo:eu-repo/grantAgreement/SFI/SFI Career Development Award/13/CDA/2168/IE/Supramolecular Approaches to Protein Surface Recognition and Self Assembly/en_IE
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