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Translation initiation factor 4E in complex with 4-cl-BN7GPPPG mRNA 5' cap analog

Analyse Translation initiation factor 4E in complex with 4-cl-BN7GPPPG 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
6YLV
Type
protein
Length
725 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 4E
UniProt
P63073
Ligands
OYW
Pockets
6 · best druggability 0.52

Structure

x-ray diffraction · 4 distinct chains · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 4Eprotein18332% helix, 30% strandP63073
BEukaryotic translation initiation factor 4Eprotein18531% helix, 30% strandP63073
CEukaryotic translation initiation factor 4Eprotein17927% helix, 30% strandP63073
DEukaryotic translation initiation factor 4Eprotein17829% helix, 31% strandP63073

Ligands and binding sites

  • OYW · 4-Cl-Bn7GpppG mRNA 5' cap analog · ligand · 4 copies · chains A, B, C, D
  • 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11230.520.8121OYW
21100.490.8018OYW
3990.480.8120OYW
41520.480.7725empty
5840.450.8014OYW

Interfaces

3 interfaces between chains.

  • B–C · 449 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 405 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 341 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6YLV · Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG 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 0.98

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