6R63

Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358

Summary for 6R63

Entry DOI	10.2210/pdb6r63/pdb
Descriptor	Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol (3 entities in total)
Functional Keywords	oxidoreductase, dioxygenase, heme-containing enzyme, structure-based drug design, ido1 inhibitor, triazole, small-molecule inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	96828.79
Authors	Roehrig, U.F.,Reynaud, A.,Pojer, F.,Michielin, O.,Zoete, V. (deposition date: 2019-03-26, release date: 2019-10-02, Last modification date: 2024-01-24)
Primary citation	Rohrig, U.F.,Reynaud, A.,Majjigapu, S.R.,Vogel, P.,Pojer, F.,Zoete, V. Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1). J.Med.Chem., 62:8784-8795, 2019 Cited by PubMed: 31525930 DOI: 10.1021/acs.jmedchem.9b00942 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.894 Å)

Structure validation