Endothiapepsin in complex with biacylhydrazone

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 45% strand (DSSP).

Ligands and binding sites

• 61P · 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) · ligand · chains A
• GOL · Glycerol · additive · 3 copies · chains A
• DMS · Dimethyl sulfoxide · additive · chains A
• ACT · Acetate ion · additive · chains A
• EDO · 1,2-ethanediol · additive · chains A
• PG4 · Tetraethylene glycol · 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 disulfide (disulfide).

Compared structures

• 5HCT · Endothiapepsin in complex with biacylhydrazone · the same entry in another collection · chain A against A, TM-score 1.00
• P11838 · AlphaFold monomer V2.0 prediction for endothiapepsin (P11838) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 P11838
• Elsewhere: RCSB PDB 5HCT · PDBe 5HCT · UniProt P11838