› 3k22

X-ray diffraction
2.1Å resolution

Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide

Released:
DOI: 10.2210/pdb3k22/pdb
PDB entry 3k22 coloured by chain, front view.
PDB entry 3k22 coloured by chain, side view.
PDB entry 3k22 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Biggadike K, Bledsoe RK, Coe DM, Cooper TW, House D, Iannone MA, Macdonald SJ, Madauss KP, McLay IM, Shipley TJ, Taylor SJ, Tran TB, Uings IJ, Weller V, Williams SP
Proc Natl Acad Sci U S A 106 18114-9 (2009)
PMID: 19822747

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 259 amino acids
Theoretical weight: 29.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04150 (Residues: 521-777; Coverage: 33%)
Gene names: GRL, NR3C1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chains: D, H
Molecule details ›
Chains: D, H
Length: 12 amino acids
Theoretical weight: 1.48 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 740-751; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

2 bound ligands:
Ligand JZS 2 x JZS
Ligand JZR 3 x JZR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P61
Unit cell:
a: 127.597Å b: 127.597Å c: 78.23Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.211 0.255
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

15 review citations

The anti-inflammatory and immunosuppressive effects of glucocorticoids, recent developments and mechanistic insights.
Coutinho et al. (2011)
14 more

8 mentions without citation

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