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Translation initiation factor 4E in complex with (sp)-M2(7,2'O)GPPSPA mRNA 5' cap analog

Analyse Translation initiation factor 4E in complex with (sp)-M2(7,2'O)GPPSPA mRNA 5'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5M84
Type
protein
Length
357 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 4E
UniProt
P63073
Ligands
YDZ
Pockets
3 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18034% helix, 32% strandP63073
BEukaryotic translation initiation factor 4Eprotein17736% helix, 31% strandP63073

Ligands and binding sites

  • YDZ · [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R}, 4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A

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
1930.480.8119empty
2970.430.7817YDZ
3800.380.7715empty

Interfaces

1 interface between chains.

  • A–B · 379 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5M84 · Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog · the same entry in another collection · chain A against A, 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

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