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Structure paper

TitleStructural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 62, Page e202300657-e202300657, Year 2023
Publish dateMar 6, 2022 (structure data deposition date)
AuthorsKratky, J. / Eggerichs, D. / Heine, T. / Hofmann, S. / Sowa, P. / Weisse, R.H. / Tischler, D. / Strater, N.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:36762980
MethodsX-ray diffraction
Resolution1.46 - 2.05 Å
Structure data

PDB-7z4x:
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with FAD
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7z94:
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with indole
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-7z97:
Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-7z98:
Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-7z99:
Crystal structure of F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfoxide
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-7zca:
Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-HOH:
WATER

ChemComp-IND:
INDOLE

ChemComp-SO4:
SULFATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-NA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-FK1:
6-bromo-1H-indole

ChemComp-16R:
(methylsulfanyl)benzene

ChemComp-IH0:
[(S)-methylsulfinyl]benzene

ChemComp-IKF:
phenylsulfinylmethylbenzene

ChemComp-ACT:
ACETATE ION

Source
  • variovorax paradoxus eps (bacteria)
KeywordsOXIDOREDUCTASE / FAD-dependent monooxygenase / styrene monooxygenase / StyA1 / IMO

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