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Eukaryotic initiation factor EIF2B in complex with isrib

Analyse Eukaryotic initiation factor EIF2B in complex with isrib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EZO
Type
protein
Length
3,367 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Translation initiation factor eif-2B subunit alpha; Translation initiation factor eif-2B…
UniProt
Q14232, P49770, Q9NR50, Q9UI10, Q13144
Ligands
C7B
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 8 distinct chains · 27% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTranslation initiation factor eif-2B subunit alphaprotein28043% helix, 14% strandQ14232
CTranslation initiation factor eif-2B subunit betaprotein30737% helix, 11% strandP49770
DTranslation initiation factor eif-2B subunit betaprotein30837% helix, 10% strandP49770
E, FTranslation initiation factor eif-2B subunit gammaprotein3479% helix, 14% strandQ9NR50
GTranslation initiation factor eif-2B subunit deltaprotein35529% helix, 7% strandQ9UI10
HTranslation initiation factor eif-2B subunit deltaprotein35329% helix, 8% strandQ9UI10
IHuman eukaryotic initiation factor EIF2B epsilon subunitsprotein39618% helix, 12% strandQ13144
JHuman eukaryotic initiation factor EIF2B epsilon subunitsprotein39418% helix, 13% strandQ13144

Ligands and binding sites

  • C7B · 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy) ethanoylamino]cyclohexyl]ethanamide · ligand · chains C, D, G, H

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18260.880.91169C7B
210130.870.89167empty
39430.870.89143empty
47220.820.86107empty
55970.820.87109empty

Interfaces

18 interfaces between chains.

  • C–G · 1450 Ų buried · 7 hydrogen bonds · protein-protein
  • D–H · 1395 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 978 Ų buried · 2 hydrogen bonds · protein-protein
  • C–I · 670 Ų buried · 4 hydrogen bonds · protein-protein
  • D–J · 526 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6EZO · Eukaryotic initiation factor EIF2B in complex with ISRIB · the same entry in another collection · chain J against J, TM-score 1.00
  • Q13144 · AlphaFold monomer V2.0 prediction for translation initiation factor eif-2B subunit… · a predicted model of the same protein · chain I against A, TM-score 0.97

Analyse

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