› 5ixk

X-ray diffraction
2.35Å resolution

RORgamma in complex with inverse agonist BIO399.

Released:
DOI: 10.2210/pdb5ixk/pdb
PDB entry 5ixk coloured by chain, front view.
PDB entry 5ixk coloured by chain, side view.
PDB entry 5ixk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Marcotte DJ, Liu Y, Little K, Jones JH, Powell NA, Wildes CP, Silvian LF, Chodaparambil JV
BMC Struct Biol 16 7 (2016)
PMID: 27246200

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: 228 amino acids
Theoretical weight: 26.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 268-487; 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 6EW 2 x 6EW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: C2
Unit cell:
a: 125.939Å b: 56.167Å c: 78.752Å
α: 90° β: 124.77° γ: 90°
R-values:
R R work R free
0.214 0.211 0.263
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Retinoic acid receptor-related orphan receptor gamma-t (RORγt) inhibitors in clinical development for the treatment of autoimmune diseases: a patent review (2016-present).
Sun et al. (2019)
1 more

2 mentions without citation

Atomistic simulations shed new light on the activation mechanisms of RORγ and classify it as Type III nuclear hormone receptor regarding ligand-binding paths.
Saen-Oon et al. (2019)
1 more