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Structure paper

TitleHuman Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Journal, issue, pagesDrug Metab. Dispos., Vol. 48, Page 86-92, Year 2020
Publish dateMar 4, 2019 (structure data deposition date)
AuthorsBart, A.G. / Takahashi, R.H. / Wang, X. / Scott, E.E.
External linksDrug Metab. Dispos. / PubMed:31757797
MethodsX-ray diffraction
Resolution3.17 Å
Structure data

PDB-6o5y:
Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Method: X-RAY DIFFRACTION / Resolution: 3.17 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-KUV:
5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

ChemComp-NO3:
NITRATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP1A1 / P450 / GDC-0339

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