The structure of trka kinase bound to the inhibitor N-(3-cyclopropyl- 1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1- YL)PHENYL]-1H-1,2,3-triazol-1-YL}ACETAMIDE

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Ligands and binding sites

• 31V · N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide · ligand · chains A
• CL · Chloride ion · ion · chains A
• ACT · Acetate ion · additive · 3 copies · chains A
• GOL · Glycerol · additive · 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

• 4PMM · The structure of TrkA kinase bound to the inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
• P04629 · AlphaFold monomer V2.0 prediction for high affinity nerve growth factor receptor (P04629) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P04629
• Elsewhere: RCSB PDB 4PMM · PDBe 4PMM · UniProt P04629