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Structure paper

TitleBimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Journal, issue, pagesInorg. Chem., Vol. 60, Page 17498-17508, Year 2021
Publish dateApr 15, 2021 (structure data deposition date)
AuthorsJeoung, J.H. / Runger, S. / Haumann, M. / Neumann, B. / Klemke, F. / Davis, V. / Fischer, A. / Dau, H. / Wollenberger, U. / Dobbek, H.
External linksInorg. Chem. / PubMed:34757735
MethodsX-ray diffraction
Resolution1.1 - 1.6 Å
Structure data

PDB-7o89:
sulerythrin without metals (apo-state)
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-7o8a:
diFe-sulerythrin reduced with Na-dithionite
Method: X-RAY DIFFRACTION / Resolution: 1.21 Å

PDB-7o8d:
diFe-sulerythrin oxidised by H2O2
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

PDB-7o90:
Mono-Fe-sulerythrin
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-7o91:
diMn-sulerythrin
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-7o93:
diMn-sulerythrin
Method: X-RAY DIFFRACTION / Resolution: 1.17 Å

PDB-7o99:
diMn-sulerythrin
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-7o9c:
diNi-sulerythrin treated by hydrogen perxoide
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7o9d:
peroxide-bound diCo-sulerythrin
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-7o9e:
diNi-sulerythrin
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-CL:
Unknown entry / Chloride

ChemComp-HOH:
WATER / Water

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM / Bis-tris methane

ChemComp-FE:
Unknown entry / Iron

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER / Diethylene glycol

ChemComp-MN:
Unknown entry

ChemComp-BU3:
(R,R)-2,3-BUTANEDIOL

ChemComp-PEO:
HYDROGEN PEROXIDE / Hydrogen peroxide

ChemComp-CO:
Unknown entry

ChemComp-NI:
NICKEL (II) ION / Nickel

Source
  • sulfurisphaera tokodaii (strain dsm 16993 / jcm 10545 / nbrc 100140 / 7) (archaea)
  • sulfurisphaera tokodaii str. 7 (archaea)
KeywordsOXIDOREDUCTASE / sulerythrin / Hydrogen peroxide / molecular oxygen / bi-metallic binding site

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