› 6cvh

X-ray diffraction
3.5Å resolution

Identification and biological evaluation of thiazole-based inverse agonists of RORgt

Released:
DOI: 10.2210/pdb6cvh/pdb
PDB entry 6cvh coloured by chain, front view.
PDB entry 6cvh coloured by chain, side view.
PDB entry 6cvh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and biological evaluation of thiazole-based inverse agonists of RORγt.
Gege C, Cummings MD, Albers M, Kinzel O, Kleymann G, Schlüter T, Steeneck C, Nelen MI, Milligan C, Spurlino J, Xue X, Leonard K, Edwards JP, Fourie A, Goldberg SD, Hoffmann T
Bioorg Med Chem Lett 28 1446-1455 (2018)
PMID: 29631962

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 Chain: A
Molecule details ›
Chain: A
Length: 227 amino acids
Theoretical weight: 26.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 265-489; 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 FJG 1 x FJG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P6122
Unit cell:
a: 92.378Å b: 92.378Å c: 141.898Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.265 0.26 0.31
Expression system: Escherichia coli

Quick links

Citations

1 review citation

(Inverse) Agonists of Retinoic Acid-Related Orphan Receptor γ: Regulation of Immune Responses, Inflammation, and Autoimmune Disease.
Jetten et al. (2020)
3 other articles