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Complex of influenza a NS1 effector domain with TRIM25 coiled coil

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

PDB
5NT1
Type
protein
Length
878 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 UBIQUITIN/ISG15 ligase TRIM25; Non-structural protein 1
EC
6.3.2.-, 2.3.2.27
UniProt
Q14258, P03496
Pockets
3 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, E, IE3 UBIQUITIN/ISG15 ligase TRIM25 (EC 6.3.2.-, 2.3.2.27)protein17380% helix, 0% strandQ14258
B, FNon-structural protein 1protein12023% helix, 43% strandP03496
JNon-structural protein 1protein11924% helix, 43% strandP03496

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13650.580.7655empty
23200.550.7554empty
31940.440.7329empty

Interfaces

5 interfaces between chains.

  • B–I · 673 Ų buried · 5 hydrogen bonds · protein-protein
  • A–J · 612 Ų buried · 6 hydrogen bonds · protein-protein
  • I–J · 172 Ų buried · 0 hydrogen bonds · protein-protein
  • E–F · 117 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 117 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5NT1 · Complex of influenza A NS1 effector domain with TRIM25 coiled coil · the same entry in another collection · chain E against E, 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 A against A, TM-score 0.90

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