Extended Data Table 1 |.
Crystal-packing analyses of crystal structures of the human STING LBD in the ligand-bound, lid-closed conformation
PDB ID | Ligand | Side-by-side packing | Lid | Space group | Crystallization condition |
---|---|---|---|---|---|
4F5D | c-di-GMP | Yes | closed | P41 | 0.025 M MgSO4, 0.0 5M Tris-HCl pH 8.5, 1.8M (NH4)2SO4 |
4KSY | 2’,3’-cGAMP | Yes | closed | C2 | 27% PEG 3,350, 0.1 M Bis-Tris, pH 6.8, 0.2 M NaCl |
5BQX | 3’,2’-cGAMP | Yes | closed | P41212 | 0.2 M ammonium acetate, 0.1 M trisodium citrate, pH 5.8, 25% PEG4000 |
4LOH | 2’,3’-cGAMP | Yes | Closed | P1 | 0.01 M NiCl2, 0.1 M Tris, 20% PEG2000, pH 8.5 |
4LOI | 2’,2’-cGAMP | Yes | Closed | P1 | 1.6 M NaH2PO4, 0.4 M Na2HPO4, 0.1 M phosphate-citrate, pH 4.2 |
4QXP | DMXAA | Yes | Closed | P21 | 0.2 M Li2SO4, 20% PEG 3350, 0.015 mM CYMAL-7, 0.1 M Tris, pH 8.1 |
4QXQ | DMXAA | Yes | Closed | P6 | 0.2 M Ca(Ac)2, 15% PEG3000, 0.01 M L-Proline, 0.1 M NaAc, pH 5.1 |
4QXR | DMXAA | Yes | Closed | P6 | 0.2 M Ca(Ac)2, 15% PEG3000, 0.1 M LiCl, 0.1 M NaAc, pH 5.1 |
4QXO | DMXAA | No | Closed | P6122 | 2 M LiCl, 10% PEG6000, 0.01 M CaCl2, 0.1 M Tris, pH 7.8 |
All of these structures (except one) contain the side-by-side packing interaction that mediates the formation of the tetramer and higher-order oligomers.