Co-crystal structure of perk bound to 1-[5-(4-amino-2,7-dimethyl-7H- PYRROLO[2,3-D]PYRIMIDIN-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro- 5-(TRIFLUOROMETHYL)PHENYL]ETHANONE inhibitor

Structure

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

Ligands and binding sites

• 3Z6 · 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone · ligand · 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

• 4X7O · Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidi… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9NZJ5 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 2-alpha… · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

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• Every structure of UniProt Q9NZJ5
• Elsewhere: RCSB PDB 4X7O · PDBe 4X7O · UniProt Q9NZJ5