› 8rqo

X-ray diffraction
2.74Å resolution

Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009

Released:
DOI: 10.2210/pdb8rqo/pdb
Model geometry
Fit model/data
PDB entry 8rqo coloured by chain, front view.
PDB entry 8rqo coloured by chain, side view.
PDB entry 8rqo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-β) Agonist for the Treatment of MASH.
Vandyck K, McGowan DC, Luong XG, Stevens SK, Jekle A, Gupta K, Misner DL, Chanda S, Serebryany V, Welch M, Hu H, Lv Z, Williams C, Maskos K, Lammens A, Stoycheva AD, Lin TI, Blatt LM, Beigelman LN, Symons JA, Raboisson P, Deval J
J Med Chem (2024)
PMID: 39221768

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145479 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thyroid hormone receptor alpha Chain: A
Molecule details ›
Chain: A
Length: 284 amino acids
Theoretical weight: 32.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10827 (Residues: 148-370; Coverage: 46%)
  • Best match: P10827-2 (Residues: 148-410)
Gene names: EAR7, ERBA1, NR1A1, THRA, THRA1, THRA2
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

2 bound ligands:
Ligand A1H2J 1 x A1H2J
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P6522
Unit cell:
a: 110.199Å b: 110.199Å c: 134.579Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.195 0.193 0.228
Expression system: Escherichia coli

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