MolNFT v1 · #157567 · protein
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
6N3N · Eif-2-alpha kinase GCN2,EIF-2-alpha kinase GCN2: “Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents”. X-ray diffraction, 1 ligand (KA4), 2 pockets (best druggability 0.72). MolNFT v1…
- PDB
- 6N3N
- Type
- protein
- Length
- 242 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eif-2-alpha kinase GCN2,EIF-2-alpha kinase GCN2
- EC
- 2.7.11.1
- UniProt
- Q9P2K8
- Ligands
- KA4
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eif-2-alpha kinase GCN2,EIF-2-alpha kinase GCN2 (EC 2.7.11.1) | protein | 242 | 37% helix, 19% strand | Q9P2K8 |
Ligands and binding sites
- KA4 · N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.72 | 0.84 | 41 | KA4 |
| 2 | 67 | 0.46 | 0.82 | 13 | empty |
Compared structures
- 6N3N · 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 6N3N · PDBe 6N3N · UniProt Q9P2K8
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