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Structure paper

TitleStructure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 55, Page 422-426, Year 2016
Publish dateAug 20, 2015 (structure data deposition date)
AuthorsBrauer, A. / Beck, P. / Hintermann, L. / Groll, M.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:26553478
MethodsX-ray diffraction
Resolution1.6 - 1.8 Å
Structure data

PDB-5dap:
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5daq:
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5dav:
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxydehydrocyclopeptin
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5daw:
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with cyclopeptin
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5dax:
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with demethylated cyclopeptin
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-AKG:
2-OXOGLUTARIC ACID

ChemComp-HOH:
WATER

ChemComp-58D:
(3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

ChemComp-58J:
4-Methoxydehydrocyclopeptin

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

ChemComp-BR:
BROMIDE ION

ChemComp-K:
Unknown entry

ChemComp-58K:
cyclopeptin

ChemComp-58L:
demethylated cyclopeptin

Source
  • emericella nidulans (strain fgsc a4 / atcc 38163 / cbs 112.46 / nrrl 194 / m139) (mold)
  • aspergillus nidulans fgsc a4 (mold)
KeywordsOXIDOREDUCTASE / Antibiotics / Biosynthesis / Alkaloids / Viridicatin / Desaturase / Epoxidase / Fragmentation / 4-Methoxycyclopeptine / 4-Methoxydehydrocyclopeptin / Cyclopeptin / Demethylated Cyclopeptin

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