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Structure paper

TitleHydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Journal, issue, pagesInt J Mol Sci, Vol. 21, Year 2020
Publish dateOct 3, 2019 (structure data deposition date)
AuthorsBukhdruker, S. / Varaksa, T. / Grabovec, I. / Marin, E. / Shabunya, P. / Kadukova, M. / Grudinin, S. / Kavaleuski, A. / Gusach, A. / Gilep, A. ...Bukhdruker, S. / Varaksa, T. / Grabovec, I. / Marin, E. / Shabunya, P. / Kadukova, M. / Grudinin, S. / Kavaleuski, A. / Gusach, A. / Gilep, A. / Borshchevskiy, V. / Strushkevich, N.
External linksInt J Mol Sci / PubMed:33081390
MethodsX-ray diffraction
Resolution1.25 Å
Structure data

PDB-6t0j:
Crystal structure of CYP124 in complex with SQ109
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-RWZ:
N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine

ChemComp-GOL:
GLYCEROL

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

ChemComp-MG:
Unknown entry

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsOXIDOREDUCTASE / Cytochrome / P450 / CYP / SQ109 / SQ / 109 / MmpL3 / tuberculosis / mycobacterium tuberculosis / antituberculosis / drug / substrate

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