› 5ntn

X-ray diffraction
1.9Å resolution

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

Released:
DOI: 10.2210/pdb5ntn/pdb
PDB entry 5ntn coloured by chain, front view.
PDB entry 5ntn coloured by chain, side view.
PDB entry 5ntn 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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155759 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor ROR-gamma Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 257 amino acids
Theoretical weight: 29.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 263-518; Coverage: 49%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor-interacting protein 1 Chains: P, Q, R, S
Molecule details ›
Chains: P, Q, R, S
Length: 20 amino acids
Theoretical weight: 2.32 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P48552 (Residues: 493-512; Coverage: 2%)
Gene name: NRIP1

Ligands and Environments

1 bound ligand:
Ligand 98H 4 x 98H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 86.238Å b: 69.684Å c: 97.208Å
α: 90° β: 107.94° γ: 90°
R-values:
R R work R free
0.201 0.2 0.225
Expression system: Escherichia coli BL21(DE3)

Quick links

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

1 mention without citation

Structome: a tool for the rapid assembly of datasets for structural phylogenetics.
Malik et al. (2023)