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Structure paper

TitleInvestigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Journal, issue, pagesChemistry, Vol. 28, Page e202202428-e202202428, Year 2022
Publish dateJan 25, 2022 (structure data deposition date)
AuthorsPodgorski, M.N. / Coleman, T. / Churchman, L.R. / Bruning, J.B. / De Voss, J.J. / Bell, S.G.
External linksChemistry / PubMed:36169207
MethodsX-ray diffraction
Resolution1.438 - 1.88 Å
Structure data

PDB-7tp5:
The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.655 Å

PDB-7tp6:
The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.655 Å

PDB-7tqm:
The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.438 Å

PDB-8dyb:
The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-81M:
4-(ethylsulfanyl)benzoic acid

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-4MI:
4-methylsulfanylbenzoic acid

Source
  • rhodopseudomonas palustris haa2 (phototrophic)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / peroxygenase / sulfoxidation / mutant / Sulfur oxidation / P450 mutant

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