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dc.contributor.authorEngilberge, Sylvain
dc.contributor.authorRennie, Martin L.
dc.contributor.authorDumon, Elise
dc.contributor.authorCrowley, Peter B.
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.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.publisherAmerican Chemical Societyen_IE
dc.relation.ispartofACS Nanoen
dc.subjectmolecular switchen_IE
dc.titleTuning protein frameworks via auxiliary supramolecular interactionsen_IE
dc.contributor.funderNational University of Ireland, Galwayen_IE
dc.contributor.funderAXELERA Pôle de Compétitivitéen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.local.contactPeter Bernard Crowley, Chemistry, Room 115, Arts/Science Building, Nui Galway. 2480 Email:
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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