› 1q4x

X-ray diffraction
2.8Å resolution

Crystal Structure of Human Thyroid Hormone Receptor beta LBD in complex with specific agonist GC-24

Released:
DOI: 10.2210/pdb1q4x/pdb
PDB entry 1q4x coloured by chain, front view.
PDB entry 1q4x coloured by chain, side view.
PDB entry 1q4x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand selectivity by seeking hydrophobicity in thyroid hormone receptor.
Borngraeber S, Budny MJ, Chiellini G, Cunha-Lima ST, Togashi M, Webb P, Baxter JD, Scanlan TS, Fletterick RJ
Proc Natl Acad Sci U S A 100 15358-63 (2003)
PMID: 14673100

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145480 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thyroid hormone receptor beta Chain: A
Molecule details ›
Chain: A
Length: 253 amino acids
Theoretical weight: 28.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P10828 (Residues: 209-461; Coverage: 55%)
Gene names: ERBA2, NR1A2, THR1, THRB
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand G24 2 x G24
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P6522
Unit cell:
a: 56.57Å b: 56.57Å c: 390.05Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.228 0.216 0.264
Expression system: Escherichia coli BL21

Quick links

Citations

22 review citations

Structural overview of the nuclear receptor superfamily: insights into physiology and therapeutics.
Huang et al. (2010)
21 more

8 mentions without citation

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking.
Mysinger et al. (2012)
7 more