› 6vsw

X-ray diffraction
3.2Å resolution

Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt

Released:
DOI: 10.2210/pdb6vsw/pdb
PDB 6vsw coloured by chain and viewed from the front.
PDB 6vsw coloured by chain and viewed from the side.
PDB 6vsw coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR��t.
Gege C, Albers M, Kinzel O, Kleymann G, Schlüter T, Steeneck C, Hoffmann T, Xue X, Cummings MD, Spurlino J, Milligan C, Fourie AM, Edwards JP, Leonard K, Coe K, Scott B, Pippel D, Goldberg SD
Bioorg. Med. Chem. Lett. 30 127205 (2020)
PMID: 32336498

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor ROR-gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 232 amino acids
Theoretical weight: 27.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 261-492; Coverage: 45%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:
Ligand RG7 2 x RG7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P61
Unit cell:
a: 100.261Å b: 100.261Å c: 124.585Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.186 0.231
Expression system: Escherichia coli

Quick links

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