Crystal structure of nuclear receptor subfamily 1, group H, member 2 (lxrb) complexed with partial agonist

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).

Ligands and binding sites

• 652 · 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol · ligand · 2 copies · chains A, B
• BU1 · 1,4-butanediol · additive · 3 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1872 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

• 4RAK · Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed… · the same entry in another collection · chain A against A, TM-score 1.00
• P55055 · AlphaFold monomer V2.0 prediction for oxysterols receptor lxr-beta (P55055) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P55055
• Elsewhere: RCSB PDB 4RAK · PDBe 4RAK · UniProt P55055