Mineralocorticoid receptor in complex with (S)-13

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 4% strand (DSSP).

Ligands and binding sites

• EYN · 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide · ligand · chains A
• CL · Chloride ion · ion · 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.

Interfaces

1 interface between chains.

• A–B · 531 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 6GGG · Mineralocorticoid receptor in complex with (s)-13 · 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 0.97

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 6GGG · PDBe 6GGG · UniProt P08235