› 4qm0

X-ray diffraction
2.2Å resolution

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

Released:
DOI: 10.2210/pdb4qm0/pdb
PDB entry 4qm0 coloured by chain, front view.
PDB entry 4qm0 coloured by chain, side view.
PDB entry 4qm0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.
Fauber BP, René O, de Leon Boenig G, Burton B, Deng Y, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, La H, Liimatta M, Lockey P, Norman M, Ouyang W, Wang W, Wong H
Bioorg Med Chem Lett 24 3891-7 (2014)
PMID: 25017032

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-156324 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor ROR-gamma Chains: A, C
Molecule details ›
Chains: A, C
Length: 251 amino acids
Theoretical weight: 29.04 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

Ligands and Environments

2 bound ligands:
Ligand 39K 2 x 39K
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P61
Unit cell:
a: 99.051Å b: 99.051Å c: 129.666Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.181 0.229
Expression system: Escherichia coli

Quick links

Citations

1 review citation

RORγ Structural Plasticity and Druggability.
Huang et al. (2020)
16 other articles

9 mentions without citation

ROR nuclear receptors: structures, related diseases, and drug discovery.
Zhang et al. (2015)
8 more