Structure of TAK1 in complex with compound 54

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• URW · 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide · ligand · chains A
• GOL · Glycerol · additive · 3 copies · chains A
• DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

• 7NTH · Structure of TAK1 in complex with compound 54 · the same entry in another collection · chain A against A, TM-score 1.00
• O43318 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 7… · a predicted model of the same protein · chain A against A, TM-score 0.93
• Q15750 · AlphaFold monomer V2.0 prediction for TGF-beta-activated kinase 1 and MAP3K7-binding… · a predicted model of the same protein · chain A against A, TM-score 0.32

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 O43318
• Every structure of UniProt Q15750
• Elsewhere: RCSB PDB 7NTH · PDBe 7NTH · UniProt O43318 · UniProt Q15750