DDR1, 3-chloro-N-[4-chloro-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-ylcarbamoyl) phenyl]-4-(2-HYDROXYETHYLAMINO)BENZAMIDE, 1.802A, P212121, RFREE=22.2%

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).

Ligands and binding sites

• 1IW · 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl) amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl) benzamide · ligand · chains A
• CL · Chloride ion · ion · 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

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

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 5SAZ · DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxye… · 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 0.97

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 5SAZ · PDBe 5SAZ · UniProt Q08345