› 6nuq

X-ray diffraction
3.15Å resolution

Stat3 Core in complex with compound SI109

Released:
DOI: 10.2210/pdb6nuq/pdb
PDB entry 6nuq coloured by chain, front view.
PDB entry 6nuq coloured by chain, side view.
PDB entry 6nuq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Bai L, Zhou H, Xu R, Zhao Y, Chinnaswamy K, McEachern D, Chen J, Yang CY, Liu Z, Wang M, Liu L, Jiang H, Wen B, Kumar P, Meagher JL, Sun D, Stuckey JA, Wang S
Cancer Cell 36 498-511.e17 (2019)
PMID: 31715132

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154181 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Signal transducer and activator of transcription 3 Chain: A
Molecule details ›
Chain: A
Length: 562 amino acids
Theoretical weight: 64.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P40763 (Residues: 127-688; Coverage: 73%)
Gene names: APRF, STAT3
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand KQV 1 x KQV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P41212
Unit cell:
a: 84.187Å b: 84.187Å c: 206.367Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.234 0.233 0.26
Expression system: Escherichia coli

Quick links

Citations

68 review citations

Targeting STAT3 in Cancer Immunotherapy.
Zou et al. (2020)
67 more

24 mentions without citation

A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Bai et al. (2019)
23 more