› 4ymq

X-ray diffraction
2Å resolution

X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist

Released:
DOI: 10.2210/pdb4ymq/pdb
PDB entry 4ymq coloured by chain, front view.
PDB entry 4ymq coloured by chain, side view.
PDB entry 4ymq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators.
Muegge I, Collin D, Cook B, Hill-Drzewi M, Horan J, Kugler S, Labadia M, Li X, Smith L, Zhang Y
Bioorg Med Chem Lett 25 1892-5 (2015)
PMID: 25840886

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: 280 amino acids
Theoretical weight: 32.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 260-507; Coverage: 48%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

3 bound ligands:
Ligand NA 1 x NA
Ligand GOL 1 x GOL
Ligand ZBD 1 x ZBD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P41212
Unit cell:
a: 61.909Å b: 61.909Å c: 156.965Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.238
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Recent progress on nuclear receptor RORĪ³ modulators.
Cyr et al. (2016)
9 other articles

1 mention without citation

Statistical Analysis of Protein-Ligand Interaction Patterns in Nuclear Receptor RORĪ³.
Pham et al. (2022)