Crystal structure of msting in complex with C[G(3',5')PA(3',5')P]

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 25% strand (DSSP).

Ligands and binding sites

• 1YD · 2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-D:3',2'-J][1,3,7,9, 2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one · ligand · 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1693 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

• 4LOK · Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p] · the same entry in another collection · chain A against A, TM-score 1.00
• Q3TBT3 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (Q3TBT3) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q3TBT3
• Elsewhere: RCSB PDB 4LOK · PDBe 4LOK · UniProt Q3TBT3