Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).

Ligands and binding sites

• 17H · 17-hydroxy-18A-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one · ligand · chains A
• SO4 · Sulfate ion · ion · chains A
• DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
• GOL · Glycerol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

• 2AMB · Crystal structure of human androgen receptor ligand binding domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P10275 · AlphaFold monomer V2.0 prediction for androgen receptor (P10275) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P10275
• Elsewhere: RCSB PDB 2AMB · PDBe 2AMB · UniProt P10275