4IN4

Crystal structure of cpd 15 bound to Keap1 Kelch domain

Summary for 4IN4

Entry DOI	10.2210/pdb4in4/pdb
Related	4IQK
Descriptor	Kelch-like ECH-associated protein 1, PHOSPHATE ION, 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, ... (4 entities in total)
Functional Keywords	transcription
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q14145
Total number of polymer chains	3
Total formula weight	101780.53
Authors	Silvian, L.,Marcotte, D. (deposition date: 2013-01-03, release date: 2013-05-15, Last modification date: 2023-09-20)
Primary citation	Marcotte, D.,Zeng, W.,Hus, J.C.,McKenzie, A.,Hession, C.,Jin, P.,Bergeron, C.,Lugovskoy, A.,Enyedy, I.,Cuervo, H.,Wang, D.,Atmanene, C.,Roecklin, D.,Vecchi, M.,Vivat, V.,Kraemer, J.,Winkler, D.,Hong, V.,Chao, J.,Lukashev, M.,Silvian, L. Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism. Bioorg.Med.Chem., 21:4011-4019, 2013 Cited by PubMed: 23647822 DOI: 10.1016/j.bmc.2013.04.019 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.59 Å)

Structure validation