Crystal structure of human nuclear receptor sf-1 (NR5A1) bound to its hormone PIP3 at 2.4 a resolution

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 2% 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
• ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 514 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 4QJR · Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4… · the same entry in another collection · chain A against A, TM-score 1.00
• Q13285 · AlphaFold monomer V2.0 prediction for steroidogenic factor 1 (Q13285) · a predicted model of the same protein · chain A against A, TM-score 0.96
• Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain B against A, TM-score 0.71

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 Q13285
• Every structure of UniProt Q9UBK2
• Elsewhere: RCSB PDB 4QJR · PDBe 4QJR · UniProt Q13285 · UniProt Q9UBK2