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Structure of salmonella enterica effector protein ssel

Analyse Structure of salmonella enterica effector protein ssel in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5HAF
Type
protein
Length
639 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Deubiquitinase ssel
EC
3.4.22.-
UniProt
Q8ZNG2
Ligands
K
Pockets
8 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADeubiquitinase ssel (EC 3.4.22.-)protein31255% helix, 11% strandQ8ZNG2
BDeubiquitinase ssel (EC 3.4.22.-)protein32749% helix, 11% strandQ8ZNG2

Ligands and binding sites

  • K · Potassium ion · metal · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13000.740.8643K
24290.700.8143empty
33430.560.7549empty
41560.430.7527empty
5500.340.7914empty

Interfaces

1 interface between chains.

  • A–B · 1243 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 5HAF · Structure of Salmonella enterica effector protein SseL · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8ZNG2 · AlphaFold monomer V2.0 prediction for deubiquitinase ssel (Q8ZNG2) · a predicted model of the same protein · chain B against A, TM-score 0.94

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