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MolNFT v1 · #144984 · protein

Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from homo sapiens

6CAJ · Translation initiation factor eif-2B subunit epsilon: “Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from homo sapiens”. Electron microscopy, 1 ligand (C7B), 20 pockets (best druggability 0.84). MolNFT…

PDB
6CAJ
Type
protein
Length
3,210 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Translation initiation factor eif-2B subunit epsilon; Translation initiation factor…
UniProt
Q13144, Q9NR50, Q14232, P49770, Q9UI10
Ligands
C7B
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 5 distinct chains · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, ATranslation initiation factor eif-2B subunit epsilonprotein42121% helix, 25% strandQ13144
J, ITranslation initiation factor eif-2B subunit gammaprotein24422% helix, 22% strandQ9NR50
H, GTranslation initiation factor eif-2B subunit alphaprotein26546% helix, 14% strandQ14232
C, DTranslation initiation factor eif-2B subunit betaprotein31852% helix, 14% strandP49770
F, ETranslation initiation factor eif-2B subunit deltaprotein35743% helix, 14% strandQ9UI10

Ligands and binding sites

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

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
16840.840.8881empty
28280.840.8784empty
36330.800.8567empty
44170.770.8658empty
511550.770.79112empty

Interfaces

22 interfaces between chains.

  • D–E · 2127 Ų buried · 22 hydrogen bonds · protein-protein
  • C–F · 2121 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 1348 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 1347 Ų buried · 12 hydrogen bonds · protein-protein
  • H–G · 1263 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6CAJ · Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q9UI10 · AlphaFold monomer V2.0 prediction for translation initiation factor eif-2B subunit delta… · a predicted model of the same protein · chain F against A, TM-score 0.98

Analyse

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