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MolNFT v1 · #111741 · protein

Crystal structures reveal transient perk luminal domain tetramerization in er stress signaling

4YZS · Eukaryotic translation initiation factor 2-alpha kinase 3: “Crystal structures reveal transient perk luminal domain tetramerization in er stress signaling”. X-ray diffraction, 1 ligand (W), 7 pockets (best druggability 0.51). MolNFT…

PDB
4YZS
Type
protein
Length
434 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 2-alpha kinase 3
EC
2.7.11.1
UniProt
Q9NZJ5
Ligands
W
Pockets
7 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein2007% helix, 50% strandQ9NZJ5
BEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein2347% helix, 53% strandQ9NZJ5

Ligands and binding sites

  • W · Tungsten ion · metal · 2 copies · chains 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12830.510.7442empty
2880.430.7929empty
31310.430.7621empty
4810.420.7914empty
51020.410.7619empty

Interfaces

1 interface between chains.

  • A–B · 1208 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4YZS · Crystal structures reveal transient PERK luminal domain tetramerization in ER stress… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NZJ5 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 2-alpha… · a predicted model of the same protein · chain B against A, TM-score 0.92

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