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Translation initiation factor 4E in complex with (sp)-M2(7,2'O)GPPSEPG mRNA 5' cap analog (beta-se-arca D2)

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

PDB
5M7Z
Type
protein
Length
658 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 4E
UniProt
P63073
Ligands
7LO, CL
Pockets
7 · best druggability 0.53

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18132% helix, 29% strandP63073
BEukaryotic translation initiation factor 4Eprotein18033% helix, 29% strandP63073
CEukaryotic translation initiation factor 4Eprotein14137% helix, 28% strandP63073
DEukaryotic translation initiation factor 4Eprotein15630% helix, 31% strandP63073

Ligands and binding sites

  • 7LO · [[[(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]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methyl hydrogen phosphate · ligand · 3 copies · chains A, B, C
  • CL · Chloride ion · ion · chains 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

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1730.530.8618empty
21760.510.7823CL
3550.500.8620empty
4930.450.80217LO
5960.420.78167LO

Interfaces

3 interfaces between chains.

  • A–B · 386 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 377 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 366 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5M7Z · Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSepG 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 D against A, TM-score 0.99

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