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Structure paper

TitleStructural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 141, Page 18771-18779, Year 2019
Publish dateJul 31, 2019 (structure data deposition date)
AuthorsPham, K.N. / Lewis-Ballester, A. / Yeh, S.R.
External linksJ. Am. Chem. Soc. / PubMed:31682426
MethodsX-ray diffraction
Resolution2.02 - 2.65 Å
Structure data

PDB-6pyy:
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6pyz:
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-6pz1:
Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-H7S:
(3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

ChemComp-HOH:
WATER

ChemComp-ZIQ:
alpha-methyl-L-tryptophan

ChemComp-AOJ:
(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE inhibitor / Tryptophan Dioxygenase / PF-06840003 / Oxidoreductase / OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex / Indoamine 2 / 3-Dioxygenase

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