MolNFT v1 · #123260 · protein
Phosphorylated sting in complex with irf-3 ctd
5JEJ · Stimulator of interferon genes protein: “Phosphorylated sting in complex with irf-3 ctd”. X-ray diffraction, 3 pockets (best druggability 0.77). MolNFT v1 #123260 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5JEJ
- Type
- protein
- Length
- 502 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stimulator of interferon genes protein; Interferon regulatory factor 3
- UniProt
- Q86WV6, Q14653
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 5 distinct chains · 23% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Stimulator of interferon genes protein | protein | 21 | 14% helix, 5% strand | Q86WV6 |
| D | Stimulator of interferon genes protein | protein | 10 | 0% helix, 10% strand | Q86WV6 |
| E | Stimulator of interferon genes protein | protein | 4 | 0% helix, 0% strand | Q86WV6 |
| A | Interferon regulatory factor 3 | protein | 234 | 24% helix, 29% strand | Q14653 |
| B | Interferon regulatory factor 3 | protein | 233 | 25% helix, 30% strand | Q14653 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 731 | 0.77 | 0.82 | 99 | empty |
| 2 | 97 | 0.55 | 0.85 | 23 | empty |
| 3 | 50 | 0.25 | 0.74 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1038 Ų buried · 8 hydrogen bonds · protein-protein
- D–A · 552 Ų buried · 14 hydrogen bonds · protein-protein
- C–B · 535 Ų buried · 9 hydrogen bonds · protein-protein
- E–B · 204 Ų buried · 2 hydrogen bonds · protein-protein
- C–E · 128 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5JEJ · Phosphorylated STING in complex with IRF-3 CTD · the same entry in another collection · chain B against B, TM-score 1.00
- Q14653 · AlphaFold monomer V2.0 prediction for interferon regulatory factor 3 (Q14653) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q86WV6 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (Q86WV6) · a predicted model of the same protein · chain E against A, TM-score 0.93
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
- Every structure of UniProt Q14653
- Elsewhere: RCSB PDB 5JEJ · PDBe 5JEJ · UniProt Q86WV6 · UniProt Q14653
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