MolNFT v1 · #126606 · protein
Translation initiation factor 4E in complex with (sp)-M2(7,2'O)GPPSPG mRNA 5' cap analog (beta-S-arca D2)
5M7W · Eukaryotic translation initiation factor 4E: “Translation initiation factor 4E in complex with (sp)-M2(7,2'O)GPPSPG mRNA 5' cap analog (beta-S-arca D2)”. X-ray diffraction, 1 ligand (WZO), 7 pockets (best druggability 0.54). MolNFT…
- PDB
- 5M7W
- Type
- protein
- Length
- 695 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eukaryotic translation initiation factor 4E
- UniProt
- P63073
- Ligands
- WZO
- Pockets
- 7 · best druggability 0.54
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eukaryotic translation initiation factor 4E | protein | 180 | 32% helix, 30% strand | P63073 |
| B | Eukaryotic translation initiation factor 4E | protein | 181 | 33% helix, 30% strand | P63073 |
| C | Eukaryotic translation initiation factor 4E | protein | 166 | 33% helix, 30% strand | P63073 |
| D | Eukaryotic translation initiation factor 4E | protein | 168 | 34% helix, 31% strand | P63073 |
Ligands and binding sites
- WZO · [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl) phosphoryl] hydrogen phosphate · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.54 | 0.86 | 22 | empty |
| 2 | 127 | 0.50 | 0.80 | 24 | empty |
| 3 | 147 | 0.49 | 0.78 | 21 | empty |
| 4 | 180 | 0.48 | 0.76 | 21 | empty |
| 5 | 93 | 0.46 | 0.80 | 17 | WZO |
Interfaces
3 interfaces between chains.
- B–C · 384 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 371 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 353 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5M7W · Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog… · the same entry in another collection · chain D against D, TM-score 1.00
- P63073 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 4E (P63073) · a predicted model of the same protein · chain A 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 P63073
- Elsewhere: RCSB PDB 5M7W · PDBe 5M7W · UniProt P63073
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