MolNFT v1 · #169805 · protein
Crystal structure of mouse sting ctd complex with sr-717.
6XNN · Stimulator of interferon genes protein: “Crystal structure of mouse sting ctd complex with sr-717.”. X-ray diffraction, 1 ligand (V67), 2 pockets (best druggability 0.84). MolNFT v1 #169805 on GenesisL1: 3D structure, binding sites…
- PDB
- 6XNN
- Type
- protein
- Length
- 361 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stimulator of interferon genes protein
- UniProt
- Q3TBT3
- Ligands
- V67
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stimulator of interferon genes protein | protein | 180 | 41% helix, 26% strand | Q3TBT3 |
| B | Stimulator of interferon genes protein | protein | 181 | 41% helix, 25% strand | Q3TBT3 |
Ligands and binding sites
- V67 · 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid · ligand · 2 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.84 | 0.96 | 35 | V67 |
| 2 | 79 | 0.34 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1678 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6XNN · Crystal Structure of Mouse STING CTD complex with SR-717. · the same entry in another collection · chain B against B, TM-score 1.00
- Q3TBT3 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (Q3TBT3) · 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 Q3TBT3
- Elsewhere: RCSB PDB 6XNN · PDBe 6XNN · UniProt Q3TBT3
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