Crystal structure of sting ref variant in complex with E7766

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 26% strand (DSSP).

Ligands and binding sites

• V5V · (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4, 6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7, 12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21, 23,25-nonaene 34,39-dioxide (non-preferred name) · ligand · chains A, B
• EDO · 1,2-ethanediol · additive · 6 copies · 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 · 1555 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

• 6XF4 · Crystal structure of STING REF variant in complex with E7766 · the same entry in another collection · chain A against A, TM-score 1.00
• Q86WV6 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (Q86WV6) · 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 Q86WV6
• Elsewhere: RCSB PDB 6XF4 · PDBe 6XF4 · UniProt Q86WV6