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Structure paper

TitleDirecting Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 136, Page 4901-, Year 2014
Publish dateJan 21, 2013 (structure data deposition date)
AuthorsNegretti, S. / Narayan, A.R.H. / Chiou, K.C. / Kells, P.M. / Stachowski, J.L. / Hansen, D.A. / Podust, L.M. / Montgomery, J. / Sherman, D.H.
External linksJ. Am. Chem. Soc. / PubMed:24627965
MethodsX-ray diffraction
Resolution1.84 - 1.89 Å
Structure data

PDB-3zk5:
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-4b7s:
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-Z18:
(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-QLE:
[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate

ChemComp-GOL:
GLYCEROL

Source
  • streptomyces venezuelae (bacteria)
KeywordsOXIDOREDUCTASE / MONOOXYGENASE / PIKROMYCIN BIOSYNTHESIS / INHIBITOR

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