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Structure paper

TitleSubstrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Journal, issue, pagesAcs Catalysis, Vol. 10, Page 1628-1639, Year 2020
Publish dateOct 17, 2019 (structure data deposition date)
AuthorsNguyen, R.C. / Yang, Y. / Davis, I. / Liu, A.
External linksAcs Catalysis / Search PubMed
MethodsX-ray diffraction
Resolution1.393 - 1.808 Å
Structure data

PDB-6upg:
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe
Method: X-RAY DIFFRACTION / Resolution: 1.393 Å

PDB-6upi:
Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe
Method: X-RAY DIFFRACTION / Resolution: 1.808 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-KEQ:
(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione

ChemComp-HOH:
WATER

ChemComp-QFD:
(3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / analog / C-C / unusual / P450 / intermediate / complex / hydroxylation

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