› 6t4k

X-ray diffraction
1.89Å resolution

ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand MRL871

Released:
DOI: 10.2210/pdb6t4k/pdb
PDB entry 6t4k coloured by chain, front view.
PDB entry 6t4k coloured by chain, side view.
PDB entry 6t4k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cooperativity between the orthosteric and allosteric ligand binding sites of RORγt.
de Vries RMJM, Meijer FA, Doveston RG, Leijten-van de Gevel IA, Brunsveld L
OpenAccess logo Proc Natl Acad Sci U S A 118 (2021)
PMID: 33536342

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: 263 amino acids
Theoretical weight: 30.51 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

Ligands and Environments

3 bound ligands:
Ligand MHQ 1 x MHQ
Ligand 4F1 1 x 4F1
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P6122
Unit cell:
a: 108.317Å b: 108.317Å c: 108.52Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.185 0.205
Expression system: Escherichia coli

Quick links

Citations

3 review citations

AlphaFold, Artificial Intelligence (AI), and Allostery.
Nussinov et al. (2022)
2 more

1 mention without citation

Cooperativity between the orthosteric and allosteric ligand binding sites of RORγt.
de Vries et al. (2021)