Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 ångströms resolution.

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).

Ligands and binding sites

• 5WR · (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide · ligand · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• PEG · Di(hydroxyethyl)ether · 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

• 5FDP · Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25… · the same entry in another collection · chain A against A, TM-score 1.00
• Q08345 · AlphaFold monomer V2.0 prediction for epithelial discoidin domain- containing receptor 1… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q08345
• Elsewhere: RCSB PDB 5FDP · PDBe 5FDP · UniProt Q08345