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This protein has two main domains: the membrane C-terminal, structured domain as well as the unstructured N-terminal domain. While PrPC (23\u2013231) has up to eight Cu(ii) binding sites in the N-terminal domain, it includes a characteristic, conservative octarepeat region PHGGGWGQ, which was studied by means of X-ray absorption near edge spectroscopy. The measurements were conducted at the SuperXAS beamline (SLS, PSI, Villigen). For the initial 1\u2009:\u20091 protein-to-Cu(ii) ratio, the two main Cu(ii) binding modes were identified using linear combination fitting and ab initio FEFF calculations for X-ray spectra. Their electronic structures indicated that Cu(ii) coordinated by strong \u03c0-donors could effectively suppress the pre-edge structure due to the filling of empty Cu(ii) d-states. The suppression was correlated with the charge transfer effect and filling of the virtual electronic Cu(ii) states. What is more, we showed that the 1s \u2192 4p + LMCT (Ligand-to-Metal-Charge-Transfer) multielectron transition relation with the main edge transition could be used as a marker for preliminary comparison of an unknown organic compound to a reference. The presented results permitted a possible explanation of the mechanism of choosing the preferred Cu(ii) modes in PrPC\u2013Cu(ii) coordination processes and of the complex stability from the electronic point of view.<\/jats:p>","DOI":"10.1039\/c8mt00339d","type":"journal-article","created":{"date-parts":[[2019,2,4]],"date-time":"2019-02-04T11:07:10Z","timestamp":1549278430000},"page":"632-642","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Electronic properties of a PrPC\u2013Cu(<scp>ii<\/scp>) complex as a marker of 5-fold Cu(<scp>ii<\/scp>) coordination"],"prefix":"10.1093","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3734-7011","authenticated-orcid":false,"given":"Micha\u0142","family":"Nowakowski","sequence":"first","affiliation":[{"name":"Institute of Nuclear Physics, Polish Academy of Sciences, PL-31-342 Krakow, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7706-0296","authenticated-orcid":false,"given":"Joanna","family":"Czapla-Masztafiak","sequence":"additional","affiliation":[{"name":"Institute of Nuclear Physics, Polish Academy of Sciences, PL-31-342 Krakow, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9912-1018","authenticated-orcid":false,"given":"Igor","family":"Zhukov","sequence":"additional","affiliation":[{"name":"Adam Mickiewicz University in Poznan, NanoBioMedical Centre, Poznan, Poland"},{"name":"Institute of Biochemistry and Biophysics, Polish Academy of Sciences, PL-02-106 Warszawa, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lilia","family":"Zhukova","sequence":"additional","affiliation":[{"name":"Institute of Biochemistry and Biophysics, Polish Academy of Sciences, PL-02-106 Warszawa, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3312-6518","authenticated-orcid":false,"given":"Maciej","family":"Kozak","sequence":"additional","affiliation":[{"name":"Adam Mickiewicz University in Poznan, Faculty of Physics, PL-61-614 Poznan, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2197-8572","authenticated-orcid":false,"given":"Wojciech M","family":"Kwiatek","sequence":"additional","affiliation":[{"name":"Institute of Nuclear Physics, Polish Academy of Sciences, PL-31-342 Krakow, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2019,2,4]]},"reference":[{"key":"2021121516074212800_cit1","doi-asserted-by":"crossref","first-page":"777","DOI":"10.1016\/j.neuro.2006.06.004","volume":"27","author":"Choi","year":"2006","journal-title":"Neurotoxicology"},{"key":"2021121516074212800_cit2","doi-asserted-by":"crossref","first-page":"38533","DOI":"10.1074\/jbc.M111.265645","volume":"286","author":"Thakur","year":"2011","journal-title":"J. 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