› 7wmo

X-ray diffraction
2.56Å resolution

A novel chemical derivative(92) of THRB agonist

Released:
DOI: 10.2210/pdb7wmo/pdb
Model geometry
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PDB entry 7wmo coloured by chain, front view.
PDB entry 7wmo coloured by chain, side view.
PDB entry 7wmo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor β Agonist.
Li Q, Yao B, Zhao S, Lu Z, Zhang Y, Xiang Q, Wu X, Yu H, Zhang C, Li J, Zhuang X, Wu D, Li Y, Xu Y
J Med Chem 65 7193-7211 (2022)
PMID: 35507418

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145483 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Thyroid hormone receptor beta Chain: A
Molecule details ›
Chain: A
Length: 260 amino acids
Theoretical weight: 29.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P10828 (Residues: 202-461; Coverage: 56%)
Gene names: ERBA2, NR1A2, THR1, THRB
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 2 Chain: B
Molecule details ›
Chain: B
Length: 11 amino acids
Theoretical weight: 1.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15596 (Residues: 741-751; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:
Ligand 9IW 1 x 9IW
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: P43212
Unit cell:
a: 106.558Å b: 106.558Å c: 56.681Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.215 0.241
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Drug targets regulate systemic metabolism and provide new horizons to treat nonalcoholic steatohepatitis.
Wang et al. (2024)
1 other article

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