› 5ntp

X-ray diffraction
1.7Å resolution

Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds

Released:
DOI: 10.2210/pdb5ntp/pdb
PDB entry 5ntp coloured by chain, front view.
PDB entry 5ntp coloured by chain, side view.
PDB entry 5ntp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural States of RORγt: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
Kallen J, Izaac A, Be C, Arista L, Orain D, Kaupmann K, Guntermann C, Hoegenauer K, Hintermann S
ChemMedChem 12 1014-1021 (2017)
PMID: 28590087

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: 238 amino acids
Theoretical weight: 27.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 263-499; Coverage: 46%)
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 98E 1 x 98E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2221
Unit cell:
a: 72.31Å b: 128.372Å c: 46.304Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.194 0.227
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

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