› 5iz0

X-ray diffraction
2.64Å resolution

RORgamma in complex with agonist BIO592 and Coactivator EBI96

Released:
DOI: 10.2210/pdb5iz0/pdb
PDB entry 5iz0 coloured by chain, front view.
PDB entry 5iz0 coloured by chain, side view.
PDB entry 5iz0 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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156330 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor ROR-gamma Chains: A, B, D, G
Molecule details ›
Chains: A, B, D, G
Length: 263 amino acids
Theoretical weight: 30.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 259-507, 508-518; Coverage: 50%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN Chains: C, E, F, H
Molecule details ›
Chains: C, E, F, H
Length: 15 amino acids
Theoretical weight: 1.69 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand 6F1 4 x 6F1
Ligand CL 23 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21
Unit cell:
a: 85.672Å b: 68.111Å c: 96.056Å
α: 90° β: 109.9° γ: 90°
R-values:
R R work R free
0.202 0.199 0.255
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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

3 mentions without citation

Molecular Mechanism of Action of RORγt Agonists and Inverse Agonists: Insights from Molecular Dynamics Simulation.
Sun et al. (2018)
2 more