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Structure paper

TitleHuman cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
Journal, issue, pagesJ. Biol. Chem., Vol. 299, Page 102999-102999, Year 2023
Publish dateFeb 24, 2017 (structure data deposition date)
AuthorsPetrunak, E.M. / Bart, A.G. / Peng, H.M. / Auchus, R.J. / Scott, E.E.
External linksJ. Biol. Chem. / PubMed:36773804
MethodsX-ray diffraction
Resolution1.85 - 2.7 Å
Structure data

PDB-5uys:
Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog
Method: X-RAY DIFFRACTION / Resolution: 2.392 Å

PDB-6wr0:
Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-6wr1:
Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6ww0:
Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-8QD:
(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol

ChemComp-HOH:
WATER

ChemComp-U7P:
(8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one / inhibitor*YM

ChemComp-CL:
Unknown entry

ChemComp-AER:
Abiraterone / medication*YM

ChemComp-UDJ:
(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Steroidogenic / Cytochrome P450 / P450 / 17A1

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