MolNFT v1 · #152941 · protein

Structure of psting complex

6IYF · Stimulator of interferon genes protein: “Structure of psting complex”. X-ray diffraction, 2 ligands (2BA, SO4), 2 pockets (best druggability 0.79). MolNFT v1 #152941 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IYF
Type: protein
Length: 366 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: 2 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Stimulator of interferon genes protein	protein	187	47% helix, 25% strand	B8XX90
B	Stimulator of interferon genes protein	protein	179	45% helix, 20% 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 · 8 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	653	0.79	0.84	55	2BA
2	52	0.27	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 1353 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6IYF · Structure of pSTING complex · the same entry in another collection · chain A against A, 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 0.94

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 6IYF · PDBe 6IYF · UniProt B8XX90

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