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TitleUnderstanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Journal, issue, pagesAcs Catalysis, Vol. 11, Page 1995-2010, Year 2021
Publish dateMay 14, 2020 (structure data deposition date)
AuthorsColeman, T. / Kirk, A.M. / Chao, R.R. / Podgorski, M.N. / Harbort, J.S. / Churchman, L.R. / Bruning, J.B. / Bernhardt, P.V. / Harmer, J.R. / Krenske, E.H. ...Coleman, T. / Kirk, A.M. / Chao, R.R. / Podgorski, M.N. / Harbort, J.S. / Churchman, L.R. / Bruning, J.B. / Bernhardt, P.V. / Harmer, J.R. / Krenske, E.H. / De Voss, J.J. / Bell, S.G.
External linksAcs Catalysis / Search PubMed
MethodsX-ray diffraction
Resolution1.65 - 1.773 Å
Structure data

PDB-6wzp:
The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7kcs:
The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4
Method: X-RAY DIFFRACTION / Resolution: 1.773 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-MW7:
4-ethenylbenzoic acid

ChemComp-HOH:
WATER

Source
  • rhodopseudomonas palustris (strain haa2) (phototrophic)
KeywordsOXIDOREDUCTASE / P450 / Substrate

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