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Crystal structure of GSK6157 bound to perk (R587-R1092, delete A660- T867) at 2.34A resolution

Analyse Crystal structure of GSK6157 bound to perk (R587-R1092, delete A660- T867) at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4M7I
Type
protein
Length
247 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 2-alpha kinase 3
EC
2.7.11.1
UniProt
Q9NZJ5
Ligands
27D
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein24744% helix, 18% strandQ9NZJ5

Ligands and binding sites

  • 27D · 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14250.740.844627D

Compared structures

  • 4M7I · Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A… · 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

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