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Structure paper

TitleUnexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Journal, issue, pagesInorg. Chem., Vol. 61, Page 8402-8405, Year 2022
Publish dateDec 13, 2021 (structure data deposition date)
AuthorsLoreto, D. / Fasulo, F. / Munoz-Garcia, A.B. / Pavone, M. / Merlino, A.
External linksInorg. Chem. / PubMed:35609175
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-7qhr:
Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-D1O:
tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II)

ChemComp-D3I:
octaaqua-dirhodium (II, II) fragment

ChemComp-CJI:
cis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)

ChemComp-D5A:
trans-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)

ChemComp-HOH:
WATER

Source
  • bos taurus (domestic cattle)
KeywordsHYDROLASE / In-crystallo reactivity / protein metalation / dirhodium tetraacetate

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