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Structure paper

TitleSystematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Journal, issue, pagesAcs Catalysis, Vol. 10, Page 9136-9144, Year 2020
Publish dateMay 21, 2019 (structure data deposition date)
AuthorsYonemura, K. / Ariyasu, S. / Stanfield, J.K. / Suzuki, K. / Onoda, H. / Kasai, C. / Sugimoto, H. / Aiba, Y. / Watanabe, Y. / Shoji, O.
External linksAcs Catalysis / Search PubMed
MethodsX-ray diffraction
Resolution1.74 - 2.06 Å
Structure data

PDB-6k3q:
Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-6l1a:
Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6l1b:
Crystal Structure of P450BM3 with N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

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

ChemComp-D0F:
(2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-OPF:
(2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

ChemComp-YIC:
(2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Source
  • bacillus megaterium (bacteria)
KeywordsOXIDOREDUCTASE / Monooxygenase

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