6vsw

X-ray diffraction
3.2Å resolution

Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt

Released:

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor ROR-gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 232 amino acids
Theoretical weight: 27.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 261-492; Coverage: 45%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P61
Unit cell:
a: 100.261Å b: 100.261Å c: 124.585Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.186 0.231
Expression system: Escherichia coli