› 4nb6

X-ray diffraction
2.85Å resolution

Crystal structure of the ligand binding domain of RORC with T0901317

Released:
DOI: 10.2210/pdb4nb6/pdb
PDB entry 4nb6 coloured by chain, front view.
PDB entry 4nb6 coloured by chain, side view.
PDB entry 4nb6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.
Fauber BP, de Leon Boenig G, Burton B, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, Liimatta M, Lockey P, Norman M, Ouyang W, René O, Wong H
Bioorg Med Chem Lett 23 6604-9 (2013)
PMID: 24239186

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: 251 amino acids
Theoretical weight: 29.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51449 (Residues: 262-507; 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

1 bound ligand:
Ligand 444 2 x 444
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P61
Unit cell:
a: 99.534Å b: 99.534Å c: 125.777Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.222 0.216 0.27
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

An overview of hydrogen deuterium exchange mass spectrometry (HDX-MS) in drug discovery.
Masson et al. (2017)
1 more

8 mentions without citation

ROR nuclear receptors: structures, related diseases, and drug discovery.
Zhang et al. (2015)
7 more