Structure of the KEAP1 kelch domain in complex with a small molecule inhibitor.

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 50% strand (DSSP).

Ligands and binding sites

• L6I · (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid · ligand · chains A
• CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 5FNU · Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Z2X8 · AlphaFold monomer V2.0 prediction for kelch-like ech-associated protein 1 (Q9Z2X8) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9Z2X8
• Elsewhere: RCSB PDB 5FNU · PDBe 5FNU · UniProt Q9Z2X8