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Structure of psting complex

Analyse Structure of psting complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6A04
Type
protein
Length
369 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Stimulator of interferon genes protein
UniProt
B8XX90
Ligands
C2E, SO4
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStimulator of interferon genes proteinprotein18744% helix, 24% strandB8XX90
BStimulator of interferon genes proteinprotein18243% helix, 20% strandB8XX90

Ligands and binding sites

  • C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16330.790.8457C2E

Interfaces

1 interface between chains.

  • A–B · 1472 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6A04 · Structure of pSTING complex · the same entry in another collection · chain A against A, TM-score 1.00
  • B8XX90 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (B8XX90) · a predicted model of the same protein · chain A against A, TM-score 0.94

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