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MolNFT v1 · #75509 · protein

Structure of a viral otu domain protease bound to interferon- stimulated gene 15 (ISG15)

3PSE · RNA polymerase: “Structure of a viral otu domain protease bound to interferon- stimulated gene 15 (ISG15)”. X-ray diffraction, 1 ligand (3CN), 2 pockets (best druggability 0.41). MolNFT v1 #75509 on GenesisL1: 3D structure, binding…

PDB
3PSE
Type
protein
Length
314 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase; Ubiquitin-like protein ISG15
UniProt
Q6TQF5, P05161
Ligands
3CN
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA polymeraseprotein16437% helix, 25% strandQ6TQF5
BUbiquitin-like protein ISG15protein15025% helix, 33% strandP05161

Ligands and binding sites

  • 3CN · 3-aminopropane · ligand · chains A, B
  • GOL · Glycerol · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.410.8214empty
21180.390.7522empty

Interfaces

1 interface between chains.

  • A–B · 1033 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 3PSE · Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15) · the same entry in another collection · chain A against A, TM-score 1.00
  • P05161 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (P05161) · a predicted model of the same protein · chain B against A, TM-score 0.89

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