MolNFT v1 · #106794 · protein
The co-complex structure of the translation initiation factor EIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating EIF4G
4TQB · Eukaryotic translation initiation factor 4E: “The co-complex structure of the translation initiation factor EIF4E with the inhibitor 4EGI-1 reveals an…”. X-ray diffraction, 2 ligands (MGT, 34K), 7 pockets (best druggability 0.73).…
- PDB
- 4TQB
- Type
- protein
- Length
- 368 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eukaryotic translation initiation factor 4E
- UniProt
- P06730
- Ligands
- MGT, 34K
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eukaryotic translation initiation factor 4E | protein | 185 | 32% helix, 29% strand | P06730 |
| B | Eukaryotic translation initiation factor 4E | protein | 183 | 32% helix, 28% strand | P06730 |
Ligands and binding sites
- MGT · 7N-methyl-8-hydroguanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- 34K · (2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid · ligand · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.73 | 0.82 | 42 | empty |
| 2 | 367 | 0.65 | 0.79 | 29 | MES |
| 3 | 200 | 0.56 | 0.79 | 25 | MGT |
| 4 | 142 | 0.48 | 0.78 | 26 | MGT |
| 5 | 63 | 0.34 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 926 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4TQB · The co-complex structure of the translation initiation factor eIF4E with the inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P06730 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 4E (P06730) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P06730
- Elsewhere: RCSB PDB 4TQB · PDBe 4TQB · UniProt P06730
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