Crystal structure of anemone sting (nematostella vectensis) in complex with 3',3' C-di-AMP, C[A(3',5')PA(3',5')P]

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 27% strand (DSSP).

Ligands and binding sites

• 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · 2 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.

Interfaces

1 interface between chains.

• A–B · 1311 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

• A7SLZ2 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (A7SLZ2) · a predicted model of the same protein · chain B 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 A7SLZ2
• Elsewhere: RCSB PDB 5CFN · PDBe 5CFN · UniProt A7SLZ2