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Structure paper

TitleCytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Journal, issue, pagesDrug Metab. Dispos., Year 2021
Publish dateSep 19, 2019 (structure data deposition date)
AuthorsBart, A.G. / Morais, G. / Vangala, V.R. / Loadman, P.M. / Pors, K. / Scott, E.E.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.85 - 3.075 Å
Structure data

PDB-6udl:
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-6udm:
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
Method: X-RAY DIFFRACTION / Resolution: 3.075 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-Q4M:
[(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone

ChemComp-HOH:
WATER

ChemComp-Q4P:
[(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone

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

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP1A1 / P450 / Duocarmycin

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