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Structure paper

TitleH-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450
Journal, issue, pagesAcs Catalysis, Vol. 11, Page 8774-8785, Year 2021
Publish dateMar 24, 2021 (structure data deposition date)
AuthorsZhang, X. / Jiang, Y. / Chen, Q. / Dong, S. / Feng, Y. / Cong, Z. / Shaik, S. / Wang, B.
External linksAcs Catalysis / Search PubMed
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-7egn:
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-IC6:
(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid

ChemComp-HOA:
HYDROXYAMINE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • bacillus megaterium (strain atcc 14581 / dsm 32 / jcm 2506 / nbrc 15308 / ncimb 9376 / nctc 10342 / vkm b-512) (bacteria)
KeywordsOXIDOREDUCTASE / Dual-functional small molecule / P450 heme domain / Complex

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