Crystal structure of N-(4-((4-methoxy-N-(2,2,2-TRIFLUOROETHYL)PHENYL) SULFONAMIDO)ISOQUINOLIN-1-yl)-N-((4-METHOXYPHENYL)SULFONYL)GLYCINE bound to human KEAP1 kelch domain

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• Q5V · N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl) sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine · ligand · chains A, B
• Q5Y · N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl) sulfonyl]amino}naphthalen-1-yl)glycine · ligand · chains B
• NA · Sodium ion · metal · 2 copies · chains A, B
• FMT · Formic acid · additive · 8 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

• 6UF0 · Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinol… · the same entry in another collection · 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 Q14145
• Elsewhere: RCSB PDB 6UF0 · PDBe 6UF0 · UniProt Q14145