PIM2 kinase in complex with compound 1S

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).

Ligands and binding sites

• 3YR · 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide · ligand · 2 copies · chains B, A
• PO4 · Phosphate ion · ion · chains B, A

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

Pockets

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

Interfaces

1 interface between chains.

• B–A · 670 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 4X7Q · PIM2 kinase in complex with Compound 1s · the same entry in another collection · chain B against B, TM-score 1.00
• Q9P1W9 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pim-2 (Q9P1W9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9P1W9
• Elsewhere: RCSB PDB 4X7Q · PDBe 4X7Q · UniProt Q9P1W9