Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 5% strand (DSSP).

Ligands and binding sites

• LD1 · 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one · ligand · chains A
• LD2 · 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one · ligand · chains A
• K · Potassium ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 2 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.

Compared structures

• 3VHV · Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist · the same entry in another collection · chain A against A, TM-score 1.00
• P08235 · AlphaFold monomer V2.0 prediction for mineralocorticoid receptor (P08235) · 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 P08235
• Elsewhere: RCSB PDB 3VHV · PDBe 3VHV · UniProt P08235