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Structure paper

TitleEnabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Journal, issue, pagesChemistry, Vol. 28, Page e202201895-e202201895, Year 2022
Publish dateAug 27, 2020 (structure data deposition date)
AuthorsColeman, T. / Lee, J.Z.H. / Kirk, A.M. / Doherty, D.Z. / Podgorski, M.N. / Pinidiya, D.K. / Bruning, J.B. / De Voss, J.J. / Krenske, E.H. / Bell, S.G.
External linksChemistry / PubMed:36043399
MethodsX-ray diffraction
Resolution1.268 - 1.825 Å
Structure data

PDB-7jxb:
The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4
Method: X-RAY DIFFRACTION / Resolution: 1.655 Å

PDB-7tnd:
The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.825 Å

PDB-7tnf:
The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.539 Å

PDB-7tnu:
The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.584 Å

PDB-8d39:
The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.268 Å

Chemicals

ChemComp-VLG:
3'-methoxy[1,1'-biphenyl]-4-carboxylic acid

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE / Heme B

ChemComp-CL:
Unknown entry / Chloride

ChemComp-HOH:
WATER / Water

ChemComp-JO4:
4-phenoxybenzoic acid

ChemComp-Z7Z:
biphenyl-4-carboxylic acid

ChemComp-MG:
Unknown entry

ChemComp-EH1:
4-cyclohexylbenzoic acid

ChemComp-QDB:
4-benzoylbenzoic acid

Source
  • rhodopseudomonas palustris (strain haa2) (phototrophic)
  • rhodopseudomonas palustris haa2 (phototrophic)
KeywordsOXIDOREDUCTASE / Cytochrome / P450 / Monooxygenase / Heme / Oxygen Insertion / Cytochrome P450 / aromatic / CYP199A4 / 4-phenylbenzoic acid / CYP199A4 F298V mutant / F298V mutant / 4-cyclohexylbenzoic acid / aromatic substrate

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