› 6q2w

X-ray diffraction
1.99Å resolution

Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist

Released:
DOI: 10.2210/pdb6q2w/pdb
PDB entry 6q2w coloured by chain, front view.
PDB entry 6q2w coloured by chain, side view.
PDB entry 6q2w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active RORĪ³ inverse agonists.
Amaudrut J, Argiriadi MA, Barth M, Breinlinger EC, Bressac D, Broqua P, Calderwood DJ, Chatar M, Cusack KP, Gauld SB, Jacquet S, Kamath RV, Kort ME, Lepais V, Luccarini JM, Masson P, Montalbetti C, Mounier L, Potin D, Poupardin O, Rouaud S, Spitzer L, Wallace CD
Bioorg Med Chem Lett 29 1799-1806 (2019)
PMID: 31101472

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156324 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor ROR-gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 221 amino acids
Theoretical weight: 25.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 267-487; Coverage: 43%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: C2
Unit cell:
a: 127.12Å b: 56.2Å c: 81.4Å
α: 90° β: 125.06° γ: 90°
R-values:
R R work R free
0.19 0.187 0.232
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Making Sense of Quorum Sensing at the Intestinal Mucosal Interface.
Uhlig et al. (2022)
6 other articles

1 mention without citation

Exploring Ligand Binding Domain Dynamics in the NRs Superfamily.
D'Arrigo et al. (2022)