› 6w9k

X-ray diffraction
1.6Å resolution

Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment

Released:
DOI: 10.2210/pdb6w9k/pdb
Model geometry
Fit model/data
PDB entry 6w9k coloured by chain, front view.
PDB entry 6w9k coloured by chain, side view.
PDB entry 6w9k coloured by chain, top view.
Source organisms:
Primary publication:
Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Liu X, Wang Y, Gutierrez JS, Damsker JM, Nagaraju K, Hoffman EP, Ortlund EA
Proc Natl Acad Sci U S A 117 24285-24293 (2020)
PMID: 32917814

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-103871 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
NR LBD domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 249 amino acids
Theoretical weight: 28.7 KDa
Source organism: synthetic construct
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A1X8XLE9 (Residues: 1-248; Coverage: 100%)
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha Chain: B
Molecule details ›
Chain: B
Length: 10 amino acids
Theoretical weight: 1.1 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9UBK2 (Residues: 142-151; Coverage: 1%)
Gene names: LEM6, PGC1, PGC1A, PPARGC1, PPARGC1A

Ligands and Environments

2 bound ligands:
Ligand TUA 1 x TUA
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2221
Unit cell:
a: 71.052Å b: 96.089Å c: 108.025Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.178 0.192
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Structural insights into glucocorticoid receptor function.
Frank et al. (2021)
2 more

1 mention without citation

COVID-19 therapeutics: Clinical application of repurposed drugs and futuristic strategies for target-based drug discovery.
Kumar et al. (2023)