The DDR1 kinase domain bound to SR302

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).

Ligands and binding sites

• TBK · ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide · ligand · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 928 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

• 7BCM · The DDR1 Kinase Domain Bound To SR302 · 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 B 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 7BCM · PDBe 7BCM · UniProt Q08345