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Complex of influenza a NS1 with TRIM25 coiled coil domain

Analyse Complex of influenza a NS1 with TRIM25 coiled coil domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NT2
Type
protein
Length
1,323 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 1; E3 UBIQUITIN/ISG15 ligase TRIM25
EC
6.3.2.-, 2.3.2.27
UniProt
P03496, Q14258
Pockets
16 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 47% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, CNon-structural protein 1protein11523% helix, 44% strandP03496
DNon-structural protein 1protein20039% helix, 25% strandP03496
ENon-structural protein 1protein20139% helix, 24% strandP03496
I, A, V, NE3 UBIQUITIN/ISG15 ligase TRIM25 (EC 6.3.2.-, 2.3.2.27)protein17382% helix, 0% strandQ14258

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19080.790.8277empty
22170.750.9035empty
33210.740.8647empty
41210.680.9021empty
52500.640.8239empty

Interfaces

17 interfaces between chains.

  • A–V · 5288 Ų buried · 45 hydrogen bonds · protein-protein
  • I–N · 5213 Ų buried · 43 hydrogen bonds · protein-protein
  • D–E · 1917 Ų buried · 33 hydrogen bonds · protein-protein
  • E–V · 832 Ų buried · 10 hydrogen bonds · protein-protein
  • D–N · 661 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5NT2 · Complex of influenza A NS1 with TRIM25 coiled coil domain · the same entry in another collection · chain N against N, TM-score 1.00
  • Q14258 · AlphaFold monomer V2.0 prediction for E3 UBIQUITIN/ISG15 ligase TRIM25 (Q14258) · a predicted model of the same protein · chain I against A, TM-score 0.91

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