Brand  (β version)

PDB ID: 6AZV

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Ligands
Code Name Style Show Link
C4V (1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid PoSSuM
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Structure summary

Code : 6AZV   PDBj   RCSB PDB   PDBe
Header : oxidoreductase/oxidoreductase inhibitor
Title : IDO1/BMS-978587 crystal structure
Release Data : 2018-03-21
Compound :
mol_id molecule chains synonym
1 Indoleamine 2,3-dioxygenase 1 A,B,C,D IDO-1,Indoleamine-pyrrole 2,3-dioxygenase
ec: 1.13.11.52
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: IDO1, IDO, INDO
Authors : Lewis, H.A.
Keywords : IDO1 heme-displaced ligand-bound, oxidoreductase-oxidoreductase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.7550 Å )
Citation :

Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.

Nelp, M.T.,Kates, P.A.,Hunt, J.T.  et al.
(2018)  Proc. Natl. Acad. Sci. U.S.A.  115 : 3249 - 3254

PubMed: 29531094
DOI: 10.1073/pnas.1719190115

Reaction

Chain : A, B, C, D
UniProt : P14902 (I23O1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
D-tryptophan + O2 = N-formyl-D-kynurenine 1.13.11.52 PubMed:17671174
-
L-tryptophan + O2 = N-formyl-L-kynurenine 1.13.11.52 PubMed:17671174
-
Cofactor: Evidence: Note:
heme b ECO:0000269 | PubMed:16477023
ECO:0000269 | PubMed:25313323
Binds 1 heme group per subunit (PubMed:16477023, PubMed:25313323). In the active form, the heme iron is in its ferrous state Fe(+2). The catalytic cycle does not alter the oxidation state of the heme, but IDO1 is prone to autoxidation (PubMed:16574111).