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MolNFT v1 · #51484 · protein

Crystallographic and mass spectrometric characterisation of EIF4E with N7-cap derivatives

2V8W · Eukaryotic translation initiation factor 4E: “Crystallographic and mass spectrometric characterisation of EIF4E with N7-cap derivatives”. X-ray diffraction, 1 ligand (MGO), 3 pockets (best druggability 0.44). MolNFT v1 #51484 on…

PDB
2V8W
Type
protein
Length
388 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 4E; Eukaryotic translation initiation factor…
UniProt
P06730, Q13541
Ligands
MGO
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18135% helix, 29% strandP06730
B, FEukaryotic translation initiation factor 4E-binding protein 1protein1443% helix, 0% strandQ13541
EEukaryotic translation initiation factor 4Eprotein17929% helix, 30% strandP06730

Ligands and binding sites

  • MGO · [[(2R,3S,4R,5R)-5-(6-amino-3-methyl-4-oxo-5H-imidazo[4, 5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate · ligand · 2 copies · chains A, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.440.7917MGO
2630.400.8018empty
31060.390.7619empty

Interfaces

4 interfaces between chains.

  • E–F · 774 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 695 Ų buried · 8 hydrogen bonds · protein-protein
  • A–E · 464 Ų buried · 11 hydrogen bonds · protein-protein
  • A–F · 127 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 2V8W · Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives · the same entry in another collection · chain F against F, 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 A against A, TM-score 0.99
  • Q13541 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 4E-binding… · a predicted model of the same protein · chain F against A, TM-score 0.71

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