Structure of 17-epiestriol-bound estrogen receptor beta lbd in complex with lxxll motif from NCOA5

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).

Ligands and binding sites

• E3O · (16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol · ligand · chains A
• BCT · Bicarbonate ion · ligand · chains A
• SO4 · Sulfate ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 6 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 401 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 2J7Y · Structure of 17-epiestriol-bound estrogen receptor beta lbd in complex with lxxll motif… · the same entry in another collection · chain A against A, TM-score 1.00
• Q62986 · AlphaFold monomer V2.0 prediction for estrogen receptor beta (Q62986) · a predicted model of the same protein · chain A against A, TM-score 0.97
• Q9HCD5 · AlphaFold monomer V2.0 prediction for nuclear receptor coactivator 5 (Q9HCD5) · a predicted model of the same protein · chain B against A, TM-score 0.72

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q62986
• Every structure of UniProt Q9HCD5
• Elsewhere: RCSB PDB 2J7Y · PDBe 2J7Y · UniProt Q62986 · UniProt Q9HCD5