› 5ejv

X-ray diffraction
2.58Å resolution

RORy in complex with T090131718 and Coactivator peptide EBI96

Released:
DOI: 10.2210/pdb5ejv/pdb
PDB entry 5ejv coloured by chain, front view.
PDB entry 5ejv coloured by chain, side view.
PDB entry 5ejv coloured by chain, top view.
Source organisms:
Primary publication:
Discovery of biaryls as RORγ inverse agonists by using structure-based design.
Enyedy IJ, Powell NA, Caravella J, van Vloten K, Chao J, Banerjee D, Marcotte D, Silvian L, McKenzie A, Hong VS, Fontenot JD
Bioorg Med Chem Lett 26 2459-2463 (2016)
PMID: 27080181

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156329 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor ROR-gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 262 amino acids
Theoretical weight: 30.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 259-518; Coverage: 50%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
EBI96 Coactivator Peptide Chains: C, D
Molecule details ›
Chains: C, D
Length: 19 amino acids
Theoretical weight: 2.1 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 444 2 x 444
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P41
Unit cell:
a: 63.139Å b: 63.139Å c: 160.441Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.179 0.231
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

1 review citation

Recent progress on nuclear receptor RORγ modulators.
Cyr et al. (2016)
2 other articles

2 mentions without citation

Pak2-mediated phosphorylation promotes RORγt ubiquitination and inhibits colonic inflammation.
Kathania et al. (2022)
1 more