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MolNFT v1 · #117789 · protein

Co-crystal structure of EIF4E with nucleotide mimetic inhibitor.

5EIR · Eukaryotic translation initiation factor 4E: “Co-crystal structure of EIF4E with nucleotide mimetic inhibitor.”. X-ray diffraction, 2 ligands (5O8, SO4), 1 pocket (best druggability 0.46). MolNFT v1 #117789 on GenesisL1: 3D…

PDB
5EIR
Type
protein
Length
199 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 4E; Eukaryotic translation initiation factor 4…
UniProt
P06730
Ligands
5O8, SO4
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18532% helix, 29% strandP06730
BEukaryotic translation initiation factor 4 gamma 1protein1450% helix, 0% strand—

Ligands and binding sites

  • 5O8 · ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.460.77175O8, SO4

Interfaces

1 interface between chains.

  • A–B · 709 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5EIR · Co-crystal structure of eIF4E with nucleotide mimetic 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 A against A, TM-score 0.97

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