Research workbench
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Analyse Identification of novel, potent and selective GCN2 inhibitors as first-in-class… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6N3O
- Type
- protein
- Length
- 252 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eif-2-alpha kinase GCN2
- EC
- 2.7.11.1
- UniProt
- Q9P2K8
- Ligands
- KA7
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eif-2-alpha kinase GCN2 (EC 2.7.11.1) | protein | 252 | 37% helix, 20% strand | Q9P2K8 |
Ligands and binding sites
- KA7 · N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide · 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 | 436 | 0.73 | 0.82 | 53 | KA7 |
Compared structures
- 6N3O · Identification of novel, potent and selective GCN2 inhibitors as first-in-class… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9P2K8 · AlphaFold monomer V2.0 prediction for eif-2-alpha kinase GCN2 (Q9P2K8) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9P2K8
- Elsewhere: RCSB PDB 6N3O · PDBe 6N3O · UniProt Q9P2K8
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