MolNFT v1 · #105203 · protein

Crystal structure of HSTING(GROUP2) in complex with dmxaa

4QXO · Stimulator of interferon genes protein: “Crystal structure of HSTING(GROUP2) in complex with dmxaa”. X-ray diffraction, 1 ligand (1YE), 2 pockets (best druggability 0.30). MolNFT v1 #105203 on GenesisL1: 3D structure, binding sites…

PDB: 4QXO
Type: protein
Length: 182 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Stimulator of interferon genes protein
UniProt: Q86WV6
Ligands: 1YE
Pockets: 2 · best druggability 0.30

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Stimulator of interferon genes protein	protein	182	45% helix, 23% strand	Q86WV6

Ligands and binding sites

1YE · (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	59	0.30	0.75	15	empty
2	51	0.25	0.73	16	empty

Compared structures

4QXO · Crystal structure of hSTING(group2) in complex with DMXAA · 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 A against A, TM-score 0.93

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 4QXO · PDBe 4QXO · UniProt Q86WV6

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