7AH4

Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363

Summary for 7AH4

Entry DOI	10.2210/pdb7ah4/pdb
Related	6R63 7AH5 7AH6
Descriptor	Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, ... (4 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	97020.46
Authors	Roehrig, U.F.,Reynaud, A.,Pojer, F.,Michielin, O.,Zoete, V. (deposition date: 2020-09-24, release date: 2021-02-17, Last modification date: 2024-01-31)
Primary citation	Rohrig, U.F.,Majjigapu, S.R.,Reynaud, A.,Pojer, F.,Dilek, N.,Reichenbach, P.,Ascencao, K.,Irving, M.,Coukos, G.,Vogel, P.,Michielin, O.,Zoete, V. Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64:2205-2227, 2021 Cited by PubMed: 33557523 DOI: 10.1021/acs.jmedchem.0c01968 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.401 Å)

Structure validation