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MolNFT v1 · #134135 · protein

The crystal structure of a chaperone

5SV7 · Eukaryotic translation initiation factor 2-alpha kinase 3: “The crystal structure of a chaperone”. X-ray diffraction, 14 pockets (best druggability 0.68). MolNFT v1 #134135 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5SV7
Type
protein
Length
842 residues
Chains
4
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
Pockets
14 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein2032% helix, 47% strandQ9NZJ5
BEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein2248% helix, 41% strandQ9NZJ5
CEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein2064% helix, 53% strandQ9NZJ5
DEukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)protein2099% helix, 42% strandQ9NZJ5

Pockets

14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13380.680.8231empty
25190.670.7852empty
33840.600.7752empty
43210.560.7632empty
5920.540.8427empty

Interfaces

4 interfaces between chains.

  • C–D · 1320 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 1283 Ų buried · 19 hydrogen bonds · protein-protein
  • A–C · 1083 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 1051 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5SV7 · The Crystal structure of a chaperone · the same entry in another collection · chain D against D, 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 A against A, TM-score 0.92

Analyse

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