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Structure paper

TitleCharacterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
Journal, issue, pagesJ. Inorg. Biochem., Vol. 249, Page 112391-112391, Year 2023
Publish dateJun 28, 2023 (structure data deposition date)
AuthorsPodgorski, M.N. / Lee, J.H.Z. / Harbort, J.S. / Nguyen, G.T.H. / Doherty, D.Z. / Donald, W.A. / Harmer, J.R. / Bruning, J.B. / Bell, S.G.
External linksJ. Inorg. Biochem. / PubMed:37837941
MethodsX-ray diffraction
Resolution1.73 - 2.021 Å
Structure data

PDB-8taw:
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-8tay:
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.021 Å

PDB-8tnk:
The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-PQS:
4-(pyridin-2-yl)benzoic acid

ChemComp-HOH:
WATER

ChemComp-EJD:
4-(thiophen-3-yl)benzoic acid

ChemComp-IRJ:
4-benzylbenzoic acid

Source
  • rhodopseudomonas palustris haa2 (phototrophic)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / peroxygenase mutant / inhibitor / peroxygenase

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