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Structure paper

TitleStructures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
Journal, issue, pagesJ. Biol. Chem., Vol. 293, Page 19201-19210, Year 2018
Publish dateJun 26, 2018 (structure data deposition date)
AuthorsBart, A.G. / Scott, E.E.
External linksJ. Biol. Chem. / PubMed:30254074
MethodsX-ray diffraction
Resolution2.85 - 3 Å
Structure data

PDB-6dwm:
Structure of Human Cytochrome P450 1A1 with Bergamottin
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-6dwn:
Structure of Human Cytochrome P450 1A1 with Erlotinib
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-HJJ:
4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one

ChemComp-CPS:
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE / detergent*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-AQ4:
[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE / medication*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / ligand

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