Crystal structure of acetylcholinesterase in complex with crystal violet

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• CVI · Crystal violet · ligand · 4 copies · chains A, B
• ETX · 2-ethoxyethanol · ligand · 3 copies · chains A, B
• AE3 · 2-(2-ethoxyethoxy)ethanol · ligand · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
• PG0 · 2-(2-methoxyethoxy)ethanol · additive · 2 copies · chains A, B
• PEG · Di(hydroxyethyl)ether · additive · chains B
• PGE · Triethylene glycol · additive · chains B
• PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A, B

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

Compared structures

• 5OV9 · Crystal structure of Acetylcholinesterase in complex with Crystal Violet · the same entry in another collection · chain A against A, TM-score 1.00
• P21836 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P21836) · a predicted model of the same protein · chain B 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 P21836
• Elsewhere: RCSB PDB 5OV9 · PDBe 5OV9 · UniProt P21836