Research workbench
Human wtsting in complex with 3'3'-C-di-gmp
Analyse Human wtsting in complex with 3'3'-C-di-gmp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6S86
- Type
- protein
- Length
- 341 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stimulator of interferon genes
- UniProt
- A0A2R3XZB7
- Ligands
- C2E
- Pockets
- 1 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stimulator of interferon genes | protein | 171 | 41% helix, 23% strand | A0A2R3XZB7 |
| B | Stimulator of interferon genes | protein | 170 | 42% helix, 27% strand | A0A2R3XZB7 |
Ligands and binding sites
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.85 | 0.94 | 35 | C2E |
Interfaces
1 interface between chains.
- A–B · 1772 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6S86 · Human wtSTING in complex with 3'3'-c-di-GMP · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A2R3XZB7
- Elsewhere: RCSB PDB 6S86 · PDBe 6S86 · UniProt A0A2R3XZB7
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