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Spectroscopically orthogonal labelling to disentangle site-specific nitroxide label distributions
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dc.contributor.author | Vitali, Valentina | |
dc.contributor.author | Ackermann, Katrin | |
dc.contributor.author | Hagelueken, Gregor | |
dc.contributor.author | Bode, Bela E. | |
dc.date.accessioned | 2023-09-25T10:30:13Z | |
dc.date.available | 2023-09-25T10:30:13Z | |
dc.date.issued | 2023-09-24 | |
dc.identifier | 294047231 | |
dc.identifier | 200d5113-5973-4ed7-9eac-0376f00e08c5 | |
dc.identifier | 85171992616 | |
dc.identifier.citation | Vitali , V , Ackermann , K , Hagelueken , G & Bode , B E 2023 , ' Spectroscopically orthogonal labelling to disentangle site-specific nitroxide label distributions ' , Applied Magnetic Resonance , vol. First Online . https://doi.org/10.1007/s00723-023-01611-1 | en |
dc.identifier.issn | 1613-7507 | |
dc.identifier.other | RIS: urn:874C03309F502A1B3CEA369545F14A24 | |
dc.identifier.other | RIS: Vitali2023 | |
dc.identifier.other | ORCID: /0000-0002-3384-271X/work/143336188 | |
dc.identifier.uri | https://hdl.handle.net/10023/28443 | |
dc.description | Funding: The authors acknowledge support by the Wellcome Trust (204821/Z/16/Z), the Leverhulme Trust (RPG-2018-397), and the EPSRC (EP/X016455/1). BEB acknowledges equipment funding by BBSRC (BB/R013780/1 and BB/T017740/1). | en |
dc.description.abstract | Biomolecular applications of pulse dipolar electron paramagnetic resonance spectroscopy (PDS) are becoming increasingly valuable in structural biology. Site-directed spin labelling of proteins is routinely performed using nitroxides, with paramagnetic metal ions and other organic radicals gaining popularity as alternative spin centres. Spectroscopically orthogonal spin labelling using different types of labels potentially increases the information content available from a single sample. When analysing experimental distance distributions between two nitroxide spin labels, the site-specific rotamer information has been projected into the distance and is not readily available, and the contributions of individual labelling sites to the width of the distance distribution are not obvious from the PDS data. Here, we exploit the exquisite precision of labelling double-histidine (dHis) motifs with CuII chelate complexes. The contribution of this label to the distance distribution widths in model protein GB1 has been shown to be negligible. By combining a dHis CuII labelling site with cysteine-specific nitroxide labelling, we gather insights on the label rotamers at two distinct sites, comparing their contributions to distance distributions based on different in silico modelling approaches and structural models. From this study, it seems advisable to consider discrepancies between different in silico modelling approaches when selecting labelling sites for PDS studies. | |
dc.format.extent | 19 | |
dc.format.extent | 1687618 | |
dc.language.iso | eng | |
dc.relation.ispartof | Applied Magnetic Resonance | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | Spectroscopically orthogonal labelling to disentangle site-specific nitroxide label distributions | en |
dc.type | Journal article | en |
dc.contributor.sponsor | The Wellcome Trust | en |
dc.contributor.sponsor | The Leverhulme Trust | en |
dc.contributor.sponsor | EPSRC | en |
dc.contributor.sponsor | BBSRC | en |
dc.contributor.sponsor | BBSRC | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. Institute of Behavioural and Neural Sciences | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.contributor.institution | University of St Andrews. Centre of Magnetic Resonance | en |
dc.contributor.institution | University of St Andrews. Biomedical Sciences Research Complex | en |
dc.identifier.doi | https://doi.org/10.1007/s00723-023-01611-1 | |
dc.description.status | Peer reviewed | en |
dc.identifier.grantnumber | N/A | en |
dc.identifier.grantnumber | RPG-2018-397 | en |
dc.identifier.grantnumber | EP/X016455/1 | en |
dc.identifier.grantnumber | BB/R013780/1 | en |
dc.identifier.grantnumber | BB/T017740/1 | en |
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