Crystal structure of PIP3 bound human nuclear receptor lrh-1 (liver receptor homolog 1, NR5A2) in complex with a co-regulator dax-1 (NR0B1) peptide at 1.86 a resolution

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 3% strand (DSSP).

Ligands and binding sites

• PIZ · (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate · ligand · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 659 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

• 4RWV · Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1… · the same entry in another collection · chain A against A, TM-score 1.00
• O00482 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 5 group a member 2… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 O00482
• Every structure of UniProt F1D8P4
• Elsewhere: RCSB PDB 4RWV · PDBe 4RWV · UniProt O00482 · UniProt F1D8P4