Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 1

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 15% strand (DSSP).

Ligands and binding sites

• 2K5 · N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 3 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 464 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 4NK9 · Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex… · the same entry in another collection · chain A against A, TM-score 1.00
• P11362 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 1 (P11362) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 P11362
• Elsewhere: RCSB PDB 4NK9 · PDBe 4NK9 · UniProt P11362