Show simple item record

dc.contributor.authorYamaguchi, T.
dc.contributor.authorAkao, K.
dc.contributor.authorTakashina, A.
dc.contributor.authorAsamura, S.
dc.contributor.authorUnno, M.
dc.contributor.authorSzilagyi, Robert K.
dc.contributor.authorKohzuma, T.
dc.date.accessioned2018-04-02T21:18:45Z
dc.date.available2018-04-02T21:18:45Z
dc.date.issued2016-09
dc.identifier.citationYamaguchi, T, K Akao, A Takashina, S Asamura, M Unno, Robert K Szilagyi, and T Kohzuma. "X-ray crystallographic evidence for the simultaneous presence of axial and rhombic sites in cupredoxins: atomic resolution X-ray crystal structure analysis of pseudoazurin and DFT modelling." RSC Advances 6, no. 91 (September 2016): 88358-88365. DOI: 10.1039/c6ra19282c.en_US
dc.identifier.issn2046-2069
dc.identifier.urihttps://scholarworks.montana.edu/xmlui/handle/1/14468
dc.description.abstractCrystal structure refinement of pseudoazurin from Achromobacter cycloclastes (AcPAz) was carried out at atomic (1.10 angstrom) resolution. The copper ion was localized in two positions at the metal binding site of AcPAz. The occupancies of the copper sites are consistent with the ratio of axial and rhombic signals from EPR spectra and the intensity ratios for blue (axial) and green (rhombic) copper sites from UV-VIS spectroscopy. Computational modelling using an approximately 6 angstrom protein environment around the Cu site for both the oxidized and reduced forms showed that a small scale inner sphere rearrangement can account for the co-existence of two different redox active sites for a mononuclear cupredoxin independently from the employed density functionals.en_US
dc.description.sponsorshipJSPS (22550145); Sekisho Scholar Award; Japan Atomic Energy Agency; Hungarian Academy of Sciences (96122, LP2015-10/2015)en_US
dc.relation.hasparthttp://scholarworks.montana.edu/xmlui/handle/1/10006en_US
dc.titleX-ray crystallographic evidence for the simultaneous presence of axial and rhombic sites in cupredoxins: atomic resolution X-ray crystal structure analysis of pseudoazurin and DFT modellingen_US
dc.typeArticleen_US
mus.citation.extentfirstpage88358en_US
mus.citation.extentlastpage88365en_US
mus.citation.issue91en_US
mus.citation.journaltitleRSC Advancesen_US
mus.citation.volume6en_US
mus.identifier.categoryLife Sciences & Earth Sciencesen_US
mus.identifier.doi10.1039/c6ra19282cen_US
mus.relation.collegeCollege of Letters & Scienceen_US
mus.relation.departmentChemistry & Biochemistry.en_US
mus.relation.universityMontana State University - Bozemanen_US


Files in this item

Thumbnail
Thumbnail

This item appears in the following Collection(s)

Show simple item record


MSU uses DSpace software, copyright © 2002-2017  Duraspace. For library collections that are not accessible, we are committed to providing reasonable accommodations and timely access to users with disabilities. For assistance, please submit an accessibility request for library material.