› 5g42

X-ray diffraction
1.72Å resolution

Ligand complex of RORg LBD

Released:
DOI: 10.2210/pdb5g42/pdb
PDB entry 5g42 coloured by chain, front view.
PDB entry 5g42 coloured by chain, side view.
PDB entry 5g42 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment Screening of RORγt Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Xue Y, Guo H, Hillertz P
ChemMedChem 11 1881-5 (2016)
PMID: 27432277

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156333 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor ROR-gamma Chain: A
Molecule details ›
Chain: A
Length: 266 amino acids
Theoretical weight: 30.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 265-507; Coverage: 47%)
Gene names: NR1F3, RORC, RORG, RZRG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chain: C
Molecule details ›
Chain: C
Length: 10 amino acids
Theoretical weight: 1.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15596 (Residues: 688-697; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

2 bound ligands:
Ligand 4TU 1 x 4TU
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P41212
Unit cell:
a: 62.06Å b: 62.06Å c: 159.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.185 0.212
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Protein X-ray Crystallography and Drug Discovery.
Maveyraud et al. (2020)
1 more