MolNFT v1 · #105206 · protein
Crystal structure of HSTING(S162A/G230I/Q266I) in complex with dmxaa
4QXR · Stimulator of interferon genes protein: “Crystal structure of HSTING(S162A/G230I/Q266I) in complex with dmxaa”. X-ray diffraction, 2 ligands (1YE, SO4), 2 pockets (best druggability 0.85). MolNFT v1 #105206 on GenesisL1: 3D…
- PDB
- 4QXR
- 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
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Stimulator of interferon genes protein | protein | 182 | 43% helix, 25% 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 580 | 0.85 | 0.90 | 80 | 1YE |
| 2 | 63 | 0.28 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1673 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4QXR · Crystal structure of hSTING(S162A/G230I/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 4QXR · PDBe 4QXR · UniProt Q86WV6
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