Research workbench
Crystal structure of sting complex with cyclic di-gmp.
Analyse Crystal structure of sting complex with cyclic di-gmp. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F9G
- Type
- protein
- Length
- 339 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transmembrane protein 173
- UniProt
- Q86WV6
- Ligands
- C2E
- Pockets
- 5 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transmembrane protein 173 | protein | 170 | 51% helix, 22% strand | Q86WV6 |
| C | Transmembrane protein 173 | protein | 169 | 51% helix, 22% strand | Q86WV6 |
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, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.54 | 0.74 | 42 | C2E |
| 2 | 81 | 0.32 | 0.74 | 16 | empty |
| 3 | 65 | 0.30 | 0.74 | 15 | empty |
| 4 | 62 | 0.29 | 0.74 | 14 | empty |
| 5 | 65 | 0.29 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–C · 855 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4F9G · Crystal structure of STING complex with Cyclic di-GMP. · 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 C against A, TM-score 0.94
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 4F9G · PDBe 4F9G · UniProt Q86WV6
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