› 3b0w

X-ray diffraction
2.2Å resolution

Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin

Released:
DOI: 10.2210/pdb3b0w/pdb
PDB entry 3b0w coloured by chain, front view.
PDB entry 3b0w coloured by chain, side view.
PDB entry 3b0w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of digoxin that antagonizes RORgamma t receptor activity and suppresses Th17 cell differentiation and interleukin (IL)-17 production.
Fujita-Sato S, Ito S, Isobe T, Ohyama T, Wakabayashi K, Morishita K, Ando O, Isono F
J Biol Chem 286 31409-17 (2011)
PMID: 21733845

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: 243 amino acids
Theoretical weight: 28.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 265-507; Coverage: 47%)
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 DGX 2 x DGX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: P61
Unit cell:
a: 98.716Å b: 98.716Å c: 129.176Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.212 0.249
Expression system: Escherichia coli

Quick links

Citations

32 review citations

REV-ERB and ROR nuclear receptors as drug targets.
Kojetin et al. (2014)
31 more

8 mentions without citation

ROR nuclear receptors: structures, related diseases, and drug discovery.
Zhang et al. (2015)
7 more