› 6t4u

X-ray diffraction
2Å resolution

ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand MRL871

Released:
DOI: 10.2210/pdb6t4u/pdb
PDB entry 6t4u coloured by chain, front view.
PDB entry 6t4u coloured by chain, side view.
PDB entry 6t4u 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: 240 amino acids
Theoretical weight: 28.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 268-507; Coverage: 46%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P6122
Unit cell:
a: 108.515Å b: 108.515Å c: 105.94Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.192 0.228
Expression system: Escherichia coli

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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)