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Translation initiation factor 4E in complex with (rp)-ipr-M7GPPSPG mRNA 5' cap analog

Analyse Translation initiation factor 4E in complex with (rp)-ipr-M7GPPSPG mRNA 5' cap… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5M80
Type
protein
Length
683 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
6 · best druggability 0.45

Structure

x-ray diffraction · 4 distinct chains · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18032% helix, 30% strandP63073
CEukaryotic translation initiation factor 4Eprotein16435% helix, 29% strandP63073
BEukaryotic translation initiation factor 4Eprotein18134% helix, 29% strandP63073
DEukaryotic translation initiation factor 4Eprotein15835% helix, 29% strandP63073

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 · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.450.8017empty
2990.430.7818empty
31150.420.7615empty
4830.380.7720empty
5680.340.7614empty

Interfaces

3 interfaces between chains.

  • A–C · 404 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 362 Ų buried · 1 hydrogen bond · protein-protein
  • B–D · 362 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5M80 · Translation initiation factor 4E in complex with (RP)-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 A against A, TM-score 0.98

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