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Structure paper

TitleAn In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Journal, issue, pagesChemistry, Vol. 30, Page e202303335-e202303335, Year 2024
Publish dateMar 23, 2023 (structure data deposition date)
AuthorsLee, J.H.Z. / Bruning, J.B. / Bell, S.G.
External linksChemistry / PubMed:37971151
MethodsX-ray diffraction
Resolution1.85 - 2.33 Å
Structure data

PDB-8gly:
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-8glz:
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-8gm1:
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8gm2:
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE / Heme B

ChemComp-PHB:
P-HYDROXYBENZOIC ACID / 4-Hydroxybenzoic acid

ChemComp-CL:
Unknown entry / Chloride

ChemComp-HOH:
WATER / Water

ChemComp-ANN:
4-METHOXYBENZOIC ACID / P-Anisic acid

Source
  • rhodopseudomonas palustris haa2 (phototrophic)
KeywordsOXIDOREDUCTASE / cytochrome / bacterial P450

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