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Structure paper

TitleInvestigating the Correlation between Product Release and Solvation in Cytochrome P450 Enzymes
Journal, issue, pagesAcs Catalysis, Vol. 15, Page 2867-2884, Year 2025
Publish dateJan 15, 2024 (structure data deposition date)
AuthorsPodgorski, M.N. / Martinez-Castro, L. / Bruning, J.B. / Campbell, E.C. / Marechal, J.D. / Bell, S.G.
External linksAcs Catalysis / Search PubMed
MethodsX-ray diffraction
Resolution1.529 - 1.544 Å
Structure data

PDB-8voc:
The crystal structure of wild-type CYP199A4 bound to 4-trifluoromethoxybenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.544 Å

PDB-8vok:
The crystal structure of wild-type CYP199A4 bound to 4-hydroxybenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.538 Å

PDB-8vot:
The crystal structure of wild-type CYP199A4 bound to 4-(hydroxymethyl)benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.529 Å

Chemicals

ChemComp-M4F:
4-(trifluoromethoxy)benzoic acid

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PHB:
P-HYDROXYBENZOIC ACID

ChemComp-E5X:
4-(hydroxymethyl)benzoic acid

ChemComp-MG:
Unknown entry

Source
  • rhodopseudomonas palustris haa2 (phototrophic)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / catalytic product

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