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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18734% helix, 28% strandP63073
BEukaryotic translation initiation factor 4Eprotein18832% helix, 28% strandP63073
CEukaryotic translation initiation factor 4Eprotein17829% helix, 30% strandP63073
DEukaryotic translation initiation factor 4Eprotein17532% helix, 31% 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 · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.530.7926empty
21450.480.78207L2
31040.460.7915empty
41550.450.7626empty
51100.390.7525empty

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

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