MolNFT v1 · #99576 · protein
Crystal structure of GSK6157 bound to perk (R587-R1092, delete A660- T867) at 2.34A resolution
4M7I · Eukaryotic translation initiation factor 2-alpha kinase 3: “Crystal structure of GSK6157 bound to perk (R587-R1092, delete A660- T867) at 2.34A resolution”. X-ray diffraction, 1 ligand (27D), 1 pocket (best druggability 0.74).…
- 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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1) | protein | 247 | 44% helix, 18% strand | Q9NZJ5 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 425 | 0.74 | 0.84 | 46 | 27D |
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
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 Q9NZJ5
- Elsewhere: RCSB PDB 4M7I · PDBe 4M7I · UniProt Q9NZJ5
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