› 6b33

X-ray diffraction
2.48Å resolution

Structure of RORgt in complex with a novel inverse agonist 3

Released:
DOI: 10.2210/pdb6b33/pdb
PDB entry 6b33 coloured by chain, front view.
PDB entry 6b33 coloured by chain, side view.
PDB entry 6b33 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and Synthesis of Conformationally Constrained RORγt Inverse Agonists.
Sato A, Fukase Y, Kono M, Ochida A, Oda T, Sasaki Y, Ishii N, Tomata Y, Fukumoto S, Imai YN, Uga K, Shibata A, Yamasaki M, Nakagawa H, Shirasaki M, Skene R, Hoffman I, Sang BC, Snell G, Shirai J, Yamamoto S
ChemMedChem 14 1917-1932 (2019)
PMID: 31659845

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: 218 amino acids
Theoretical weight: 25.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 265-482; Coverage: 42%)
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 CF7 2 x CF7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P61
Unit cell:
a: 99.211Å b: 99.211Å c: 126.332Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.195 0.193 0.239
Expression system: Escherichia coli

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Citations

2 citation in other articles

Effects of N-Substituents on the Functional Activities of Naltrindole Derivatives for the δ Opioid Receptor: Synthesis and Evaluation of Sulfonamide Derivatives.
Iwamatsu et al. (2020)
1 more