7XM4

Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6e

Summary for 7XM4

Entry DOI	10.2210/pdb7xm4/pdb
Descriptor	Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide (2 entities in total)
Functional Keywords	oxidative stress sensor, protein binding
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	32688.52
Authors	Xu, K. (deposition date: 2022-04-24, release date: 2022-07-06, Last modification date: 2023-11-29)
Primary citation	Liu, G.,Hou, R.,Xu, L.,Zhang, X.,Yan, J.,Xing, C.,Xu, K.,Zhuang, C. Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides. J.Med.Chem., 65:8289-8302, 2022 Cited by DOI: 10.1021/acs.jmedchem.2c00170 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation