› 5yp5

X-ray diffraction
2.65Å resolution

Crystal structure of RORgamma complexed with SRC2 and compound 5d

Released:
DOI: 10.2210/pdb5yp5/pdb
PDB entry 5yp5 coloured by chain, front view.
PDB entry 5yp5 coloured by chain, side view.
PDB entry 5yp5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
From RORγt Agonist to Two Types of RORγt Inverse Agonists.
Wang Y, Cai W, Tang T, Liu Q, Yang T, Yang L, Ma Y, Zhang G, Huang Y, Song X, Orband-Miller LA, Wu Q, Zhou L, Xiang Z, Xiang JN, Leung S, Shao L, Lin X, Lobera M, Ren F
ACS Med Chem Lett 9 120-124 (2018)
PMID: 29456799

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: 243 amino acids
Theoretical weight: 28.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli-Thermus thermophilus shuttle vector pTRH1T
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: B
Molecule details ›
Chain: B
Length: 8 amino acids
Theoretical weight: 1.02 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 688-695; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:
Ligand 4CZ 1 x 4CZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P41212
Unit cell:
a: 62.069Å b: 62.069Å c: 154.818Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.253
Expression systems:
  • Escherichia coli-Thermus thermophilus shuttle vector pTRH1T
  • Not provided

Quick links

Citations

2 review citations

(Inverse) Agonists of Retinoic Acid-Related Orphan Receptor γ: Regulation of Immune Responses, Inflammation, and Autoimmune Disease.
Jetten et al. (2020)
1 more

1 mention without citation

From RORγt Agonist to Two Types of RORγt Inverse Agonists.
Wang et al. (2018)