MolNFT v1 · #126611 · protein
Translation initiation factor 4E in complex with (sp)-ipr-M7GPPSPG mRNA 5' cap analog
5M81 · Eukaryotic translation initiation factor 4E: “Translation initiation factor 4E in complex with (sp)-ipr-M7GPPSPG mRNA 5' cap analog”. X-ray diffraction, 1 ligand (7L2), 5 pockets (best druggability 0.53). MolNFT v1 #126611 on…
- PDB
- 5M81
- Type
- protein
- Length
- 728 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eukaryotic translation initiation factor 4E
- UniProt
- P63073
- Ligands
- 7L2
- Pockets
- 5 · best druggability 0.53
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eukaryotic translation initiation factor 4E | protein | 187 | 34% helix, 28% strand | P63073 |
| B | Eukaryotic translation initiation factor 4E | protein | 188 | 32% helix, 28% strand | P63073 |
| C | Eukaryotic translation initiation factor 4E | protein | 178 | 29% helix, 30% strand | P63073 |
| D | Eukaryotic translation initiation factor 4E | protein | 175 | 32% helix, 31% strand | P63073 |
Ligands and binding sites
- 7L2 · [[[(3~{A}~{R},4~{R},6~{R},6~{A}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{A},4,6,6~{A}-tetrahydrofuro[3,4-D][1, 3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.53 | 0.79 | 26 | empty |
| 2 | 145 | 0.48 | 0.78 | 20 | 7L2 |
| 3 | 104 | 0.46 | 0.79 | 15 | empty |
| 4 | 155 | 0.45 | 0.76 | 26 | empty |
| 5 | 110 | 0.39 | 0.75 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–C · 433 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 420 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 410 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5M81 · Translation initiation factor 4E in complex with (SP)-iPr-m7GppSpG 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 C 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 5M81 · PDBe 5M81 · UniProt P63073
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