› 4csj

X-ray diffraction
2.3Å resolution

The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation

Released:
DOI: 10.2210/pdb4csj/pdb
PDB entry 4csj coloured by chain, front view.
PDB entry 4csj coloured by chain, side view.
PDB entry 4csj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The discovery of potent and selective non-steroidal glucocorticoid receptor modulators, suitable for inhalation.
Edman K, Ahlgren R, Bengtsson M, Bladh H, Bäckström S, Dahmén J, Henriksson K, Hillertz P, Hulikal V, Jerre A, Kinchin L, Kåse C, Lepistö M, Mile I, Nilsson S, Smailagic A, Taylor J, Tjörnebo A, Wissler L, Hansson T
Bioorg Med Chem Lett 24 2571-7 (2014)
PMID: 24755427

Function and Biology Details

Biochemical function:
  • not assigned
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-137445 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Glucocorticoid receptor Chain: A
Molecule details ›
Chain: A
Length: 280 amino acids
Theoretical weight: 32.19 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P04150 (Residues: 500-777; Coverage: 36%)
Gene names: GRL, NR3C1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chain: B
Molecule details ›
Chain: B
Length: 13 amino acids
Theoretical weight: 1.58 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q15596 (Residues: 741-753; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

2 bound ligands:
Ligand EDO 1 x EDO
Ligand NN7 1 x NN7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P3221
Unit cell:
a: 84.354Å b: 84.354Å c: 105.669Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.219 0.218 0.234
Expression system: Trichoplusia ni

Quick links

Citations

4 review citations

Understanding how long-acting β2 -adrenoceptor agonists enhance the clinical efficacy of inhaled corticosteroids in asthma - an update.
Newton et al. (2016)
3 more

5 mentions without citation

The Biologist's Guide to the Glucocorticoid Receptor's Structure.
Deploey et al. (2023)
4 more