Crystal structure of FGF receptor (fgfr) 4 kinase harboring the V550L gate-keeper mutation in complex with fiin-3, an irreversible tyrosine kinase inhibitor capable of overcoming fgfr kinase gate-keeper mutations

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

Ligands and binding sites

• FI3 · N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide · ligand · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 4R6V · Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper… · the same entry in another collection · chain A against A, TM-score 1.00
• P22455 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 4 (P22455) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P22455
• Elsewhere: RCSB PDB 4R6V · PDBe 4R6V · UniProt P22455