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Crystal structure of salmonella effector protein sopa

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

PDB
2QZA
Type
protein
Length
1,229 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Secreted effector protein
UniProt
Q8ZNR3
Pockets
17 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASecreted effector proteinprotein61743% helix, 9% strandQ8ZNR3
BSecreted effector proteinprotein61239% helix, 7% strandQ8ZNR3

Pockets

17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110880.840.8598empty
25790.690.7845empty
33120.670.8139empty
44100.600.7642empty
52070.580.8031empty

Interfaces

1 interface between chains.

  • A–B · 1322 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 2QZA · Crystal structure of Salmonella effector protein SopA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8ZNR3 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase sopa (Q8ZNR3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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