DDR1, 2-[4-bromo-2-oxo-1'-(1H-PYRAZOLO[4,3-B]PYRIDINE-5-carbonyl) SPIRO[INDOLE-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl) acetamide, 1.291A, P212121, RFREE=17.4%

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

Ligands and binding sites

• D6Z · 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide · ligand · chains A
• IOD · Iodide ion · ion · 4 copies · chains A
• CL · Chloride ion · ion · 4 copies · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

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

Compared structures

• 6FEX · DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperid… · 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 0.99

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 6FEX · PDBe 6FEX · UniProt Q08345