Crystal structure of anemone sting (nematostella vectensis) in complex with 3', 3' C-di-gmp, C[G(3', 5')PG(3', 5')P]

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

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
• FLC · Citrate anion · additive · 4 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1417 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

• 5CFL · Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3'… · the same entry in another collection · chain A against A, TM-score 1.00
• A7SLZ2 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (A7SLZ2) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 5CFL · PDBe 5CFL · UniProt A7SLZ2