Crystal structure of FGF receptor (fgfr) 4 kinase domain in complex with fiin-2, an irreversible tyrosine kinase inhibitor capable of overcoming fgfr kinase gate-keeper mutations

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).

Ligands and binding sites

• 37O · N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide · ligand · chains A
• SO4 · Sulfate ion · ion · chains A

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

Pockets

3 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

• 4QQC · Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an… · 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 0.94

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 4QQC · PDBe 4QQC · UniProt P22455