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Structure paper

TitleVisualizing the Substrate-, Superoxo-, Alkylperoxo- and Product-Bound States at the Non-Heme Fe(II) Site of Homogentisate Dioxygenase
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 110, Page 12625-, Year 2013
Publish dateNov 30, 2012 (structure data deposition date)
AuthorsJeoung, J.-H. / Bommer, M. / Lin, T.-Y. / Dobbek, H.
External linksProc. Natl. Acad. Sci. USA / PubMed:23858455
MethodsX-ray diffraction
Resolution1.7 - 1.98 Å
Structure data

PDB-3zds:
Structure of homogentisate 1,2-dioxygenase in complex with reaction intermediates of homogentisate with oxygen.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4aq2:
resting state of homogentisate 1,2-dioxygenase
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4aq6:
substrate bound homogentisate 1,2-dioxygenase
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

Chemicals

ChemComp-FE:
Unknown entry / Iron

ChemComp-M8O:
4-Maleylacetoacetic acid / 4-Maleylacetoacetic acid

ChemComp-OMD:
2-(3,6-DIHYDROXYPHENYL)ACETIC ACID / Homogentisic acid

ChemComp-OXY:
OXYGEN MOLECULE / Oxygen

ChemComp-HQ9:
2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-HMQ:
2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid

ChemComp-HOH:
WATER / Water

ChemComp-B3P:
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM / Bis-tris propane

Source
  • pseudomonas putida (bacteria)
KeywordsOXIDOREDUCTASE / EXTRADIOL / ALKYLPEROXO SPECIES / HOMOGENTISATE-SEMIQUINONE / RING-FISSION PRODUCT / EXTRADIOL-TYPE / EXTRADIOL-TYPE DIOXYGENASE

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