› 5za1

X-ray diffraction
2.52Å resolution

Ligand complex of RORgt LBD

Released:
DOI: 10.2210/pdb5za1/pdb
PDB entry 5za1 coloured by chain, front view.
PDB entry 5za1 coloured by chain, side view.
PDB entry 5za1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (RORγt) inhibitor, S18-000003.
Sasaki Y, Odan M, Yamamoto S, Kida S, Ueyama A, Shimizu M, Haruna T, Watanabe A, Okuno T
Bioorg Med Chem Lett 28 3549-3553 (2018)
PMID: 30301676

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: 234 amino acids
Theoretical weight: 27.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 265-494; Coverage: 44%)
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 9A0 2 x 9A0
Ligand EDO 9 x EDO
Ligand DMF 2 x DMF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P61
Unit cell:
a: 97.501Å b: 97.501Å c: 128.114Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.186 0.256
Expression system: Escherichia coli

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Citations

3 review citations

The Role of Autophagy in Pancreatic Cancer: From Bench to the Dark Bedside.
Görgülü et al. (2020)
2 more