MolNFT v1 · #171189 · protein
Human ref sting in complex with 3',3'-C-[2'FDAMP-2'FDAM(PS)]
6YWA · Stimulator of interferon genes protein: “Human ref sting in complex with 3',3'-C-[2'FDAMP-2'FDAM(PS)]”. X-ray diffraction, 1 ligand (PWB), 3 pockets (best druggability 0.84). MolNFT v1 #171189 on GenesisL1: 3D structure, binding…
- PDB
- 6YWA
- 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
- PWB
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stimulator of interferon genes protein | protein | 183 | 42% helix, 25% strand | Q86WV6 |
| B | Stimulator of interferon genes protein | protein | 181 | 45% helix, 25% strand | Q86WV6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.84 | 0.93 | 46 | PWB |
| 2 | 91 | 0.41 | 0.78 | 15 | empty |
| 3 | 54 | 0.25 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1933 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6YWA · Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)] · 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 B 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 Q86WV6
- Elsewhere: RCSB PDB 6YWA · PDBe 6YWA · UniProt Q86WV6
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