Research workbench
Crystal structure of HSTING(S162A/Q266I) in complex with dmxaa
Analyse Crystal structure of HSTING(S162A/Q266I) in complex with dmxaa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QXQ
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stimulator of interferon genes protein
- UniProt
- Q86WV6
- Ligands
- 1YE, SO4
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Stimulator of interferon genes protein | protein | 182 | 45% helix, 21% strand | Q86WV6 |
Ligands and binding sites
- 1YE · (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 325 | 0.82 | 0.92 | 44 | 1YE |
| 2 | 155 | 0.73 | 0.91 | 26 | empty |
| 3 | 167 | 0.71 | 0.89 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1588 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4QXQ · Crystal structure of hSTING(S162A/Q266I) in complex with DMXAA · 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 0.94
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 4QXQ · PDBe 4QXQ · UniProt Q86WV6
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