7ZV3

Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472

Summary for 7ZV3

Entry DOI	10.2210/pdb7zv3/pdb
Descriptor	Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, ... (6 entities in total)
Functional Keywords	dioxygenase, heme-containing enzyme, structure-based drug design, triazole, small-molecule inhibitor, oxidoreductase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	97093.70
Authors	Roehrig, U.F.,Reynaud, A.,Pojer, F.,Michielin, O.,Zoete, V. (deposition date: 2022-05-13, release date: 2022-07-06, Last modification date: 2024-03-27)
Primary citation	Rohrig, U.F.,Majjigapu, S.R.,Vogel, P.,Reynaud, A.,Pojer, F.,Dilek, N.,Reichenbach, P.,Ascencao, K.,Irving, M.,Coukos, G.,Michielin, O.,Zoete, V. Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors. J Enzyme Inhib Med Chem, 37:1773-1811, 2022 Cited by PubMed: 35758198 DOI: 10.1080/14756366.2022.2089665 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.551 Å)

Structure validation