Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1

Structure

x-ray diffraction · resolution 1.961 · 3 distinct chains · 73% helix, 0% strand (DSSP).

Ligands and binding sites

• QJK · 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid · ligand · 2 copies · chains A, C, B, D
• MG · Magnesium ion · metal
• BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–B · 1106 Ų buried · 11 hydrogen bonds · protein-protein
• B–D · 711 Ų buried · 13 hydrogen bonds · protein-protein
• A–C · 701 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

• P63104 · AlphaFold monomer V2.0 prediction for 14-3-3 protein ZETA/DELTA (P63104) · a predicted model of the same protein · chain A against A, TM-score 0.99
• P04150 · AlphaFold monomer V2.0 prediction for glucocorticoid receptor (P04150) · a predicted model of the same protein · chain C against A, TM-score 0.34

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 P63104
• Every structure of UniProt P04150
• Elsewhere: RCSB PDB 8A9G · PDBe 8A9G · UniProt P63104 · UniProt P04150