UniProt Q9P2K8
eIF-2-alpha kinase GCN2 (Q9P2K8)
eIF-2-alpha kinase GCN2 (UniProt Q9P2K8), EC 2.7.11.1: 10 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 1 pocket. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9P2K8
- Protein
- eIF-2-alpha kinase GCN2
- EC
- 2.7.11.1
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 1 · 1 record with a druggable one
Structures
11 records of Q9P2K8 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6N3L | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | x-ray diffraction | A, B | KAV | — |
| 6N3N | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | x-ray diffraction | A | KA4 | — |
| 6N3N | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | x-ray diffraction | A | KA4 | — |
| 6N3O | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | x-ray diffraction | A | KA7 | 1 (best 0.73) |
| 6N3O | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | x-ray diffraction | A | KA7 | — |
| 7E2K | Crystal structure of the rwd domain of human GCN2 - 1 | x-ray diffraction | A | — | — |
| 7E2M | Crystal structure of the RWD domain of human GCN2 - 2 | x-ray diffraction | A, B, C, D, E, F | — | — |
| 7E2M | Crystal structure of the rwd domain of human GCN2 - 2 | x-ray diffraction | A, B, C, D, E, F | — | — |
| 7QQ6 | GCN2 (EIF2ALPHA kinase 4, E2AK4) in complex with compound 1 (dovitinib) | x-ray diffraction | A, B, C, D | 38O | — |
| 7QWK | GCN2 (EIF2ALPHA kinase 4, E2AK4) in complex with compound 2 | x-ray diffraction | A, B, C, D, E, F, G, H | G41 | — |
| Q9P2K8 | AlphaFold monomer V2.0 prediction for eif-2-alpha kinase GCN2 (Q9P2K8) | predicted | A | — | — |
Ligands
- KA4 · N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide · in 2 records
- KA7 · N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide · in 2 records
- 38O · 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one · in 1 record
- G41 · (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide · in 1 record
- KAV · N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide · in 1 record
Experiment against prediction
- 7QWK chain E against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.60 Å
- 6N3O chain A against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.26 Å
- 6N3O chain A against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.26 Å
- 7QWK chain A against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.64 Å
- 6N3N chain A against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.25 Å
- 6N3N chain A against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.25 Å
- 6N3L chain B against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.36 Å
- 7QWK chain G against the predicted model Q9P2K8: TM-score 0.95, RMSD 1.71 Å
- 7QWK chain F against the predicted model Q9P2K8: TM-score 0.94, RMSD 1.28 Å
- 7QWK chain C against the predicted model Q9P2K8: TM-score 0.94, RMSD 1.63 Å
Elsewhere
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