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Structure paper

TitleEvolutionary insights into the selectivity of sterol oxidising cytochrome P450 enzymes based on ancestral sequence reconstruction.
Journal, issue, pagesChem Sci, Vol. 16, Page 11110-11122, Year 2025
Publish dateFeb 4, 2024 (structure data deposition date)
AuthorsDoherty, D.Z. / De Voss, J.J. / Bruning, J.B. / Bell, S.G.
External linksChem Sci / PubMed:40417289
MethodsX-ray diffraction
Resolution1.78 - 2.057 Å
Structure data

PDB-8vxg:
The crystal structure of CYP125MRCA, an ancestrally reconstructed CYP125 enzyme
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-8vxi:
The crystal structure of sitosterol-bound CYP125MRCA
Method: X-RAY DIFFRACTION / Resolution: 2.057 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-VD3:
(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

PDB-1lxl:
NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, MINIMIZED AVERAGE STRUCTURE

Source
  • synthetic construct (others)
KeywordsLIPID BINDING PROTEIN / P450 / Cytochrome / Enzyme / Heme / Steroid / Vitamin D3 / cholecalciferol / CYP125 / Ancestor / Sitosterol / Phytosterols

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