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Structure paper

TitleCrystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 112, Page 388-393, Year 2015
Publish dateSep 23, 2014 (structure data deposition date)
AuthorsKnoot, C.J. / Purpero, V.M. / Lipscomb, J.D.
External linksProc. Natl. Acad. Sci. USA / PubMed:25548185
MethodsX-ray diffraction
Resolution1.35 - 1.83 Å
Structure data

PDB-4who:
Resting Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-4whp:
Resting Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
Method: X-RAY DIFFRACTION / Resolution: 1.541 Å

PDB-4whq:
Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-4whr:
Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-4whs:
4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-BCT:
BICARBONATE ION / pH buffer*YM

ChemComp-FE:
Unknown entry

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-3N8:
4-fluorobenzene-1,2-diol

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-3N9:
(6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-3NJ:
4-fluorooxepine-2,7-dione

ChemComp-MUC:
[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid

Source
  • pseudomonas putida (bacteria)
KeywordsOXIDOREDUCTASE / dioxygen activation / non-heme iron / intradiol dioxygenase / aromatic ring cleavage / catalytic intermediates

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