MolNFT v1 · #168847 · protein
Structure of a bacterial sting receptor from flavobacteriaceae sp. in complex with 3',3'-cgamp
6WT4: “Structure of a bacterial sting receptor from flavobacteriaceae sp. in complex with 3',3'-cgamp”. X-ray diffraction, 2 ligands (4BW, SO4), 3 pockets (best druggability 0.81). MolNFT v1 #168847 on GenesisL1: 3D structure, binding…
- PDB
- 6WT4
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial sting
- Ligands
- 4BW, SO4
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacterial sting | protein | 147 | 51% helix, 19% strand | — |
| B | Bacterial sting | protein | 140 | 49% helix, 19% strand | — |
Ligands and binding sites
- 4BW · 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-D:3',2'-J][1,3,7,9, 2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one · ligand · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains B
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 | 542 | 0.81 | 0.87 | 60 | 4BW |
| 2 | 156 | 0.48 | 0.77 | 23 | empty |
| 3 | 141 | 0.44 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1295 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6WT4 · Structure of a bacterial STING receptor from Flavobacteriaceae sp. in complex with… · 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
- Elsewhere: RCSB PDB 6WT4 · PDBe 6WT4
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