› 4wqp

X-ray diffraction
1.99Å resolution

Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist

Released:
DOI: 10.2210/pdb4wqp/pdb
PDB entry 4wqp coloured by chain, front view.
PDB entry 4wqp coloured by chain, side view.
PDB entry 4wqp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
René O, Fauber BP, Boenig Gde L, Burton B, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, Kiefer JR, Liimatta M, Lockey P, Norman M, Ouyang W, Wallweber HA, Wong H
ACS Med Chem Lett 6 276-81 (2015)
PMID: 25815138

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156325 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor ROR-gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 265 amino acids
Theoretical weight: 30.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 262-507; Coverage: 48%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor ROR-gamma Chain: P
Molecule details ›
Chain: P
Length: 13 amino acids
Theoretical weight: 1.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 480-492; Coverage: 3%)
Gene names: NR1F3, RORC, RORG, RZRG

Ligands and Environments

2 bound ligands:
Ligand 3SX 2 x 3SX
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P61
Unit cell:
a: 99.735Å b: 99.735Å c: 129.606Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.151 0.15 0.18
Expression system: Escherichia coli

Quick links

Citations

3 review citations

RORγ antagonists and inverse agonists: a patent review.
Bronner et al. (2017)
2 more

6 mentions without citation

Characterization of a new pathway that activates lumisterol in vivo to biologically active hydroxylumisterols.
Slominski et al. (2017)
5 more