› 4whg

X-ray diffraction
2.18Å resolution

Crystal Structure of TR3 LBD in complex with Molecule 3

Released:
DOI: 10.2210/pdb4whg/pdb
PDB entry 4whg coloured by chain, front view.
PDB entry 4whg coloured by chain, side view.
PDB entry 4whg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity.
Wang WJ, Wang Y, Hou PP, Li FW, Zhou B, Chen HZ, Bian XL, Cai QX, Xing YZ, He JP, Zhang H, Huang PQ, Lin T, Wu Q
Chem Biol 22 1040-51 (2015)
PMID: 26235054

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-149784 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor subfamily 4immunitygroup A member 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 257 amino acids
Theoretical weight: 28.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22736 (Residues: 351-598; Coverage: 42%)
Gene names: GFRP1, HMR, NAK1, NR4A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand GOL 5 x GOL
Ligand 3NB 1 x 3NB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 74.551Å b: 76.807Å c: 128.944Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.235
Expression system: Escherichia coli

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Citations

5 review citations

Natural Compounds from Herbs that can Potentially Execute as Autophagy Inducers for Cancer Therapy.
Lin et al. (2017)
4 more

2 mentions without citation

Inhibition of Nur77 expression and translocation by compound B6 reduces ER stress and alleviates cigarette smoke-induced inflammation and injury in bronchial epithelial cells.
Chang et al. (2023)
1 more