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Structure of psting complex

Analyse Structure of psting complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6A03
Type: protein
Length: 353 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Stimulator of interferon genes protein
UniProt: B8XX90
Ligands: 2BA, SO4
Pockets: 1 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Stimulator of interferon genes protein	protein	175	45% helix, 25% strand	B8XX90
B	Stimulator of interferon genes protein	protein	178	45% helix, 26% strand	B8XX90

Ligands and binding sites

2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · chains A, B
SO4 · Sulfate ion · ion · chains A

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	324	0.83	0.93	44	2BA

Interfaces

1 interface between chains.

A–B · 1774 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

6A03 · Structure of pSTING complex · the same entry in another collection · chain B against B, TM-score 1.00
B8XX90 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (B8XX90) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 B8XX90
Elsewhere: RCSB PDB 6A03 · PDBe 6A03 · UniProt B8XX90

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