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QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE

X-ray diffraction
2.8Å resolution
PDB entry 1acj coloured by chain, front view.
PDB entry 1acj coloured by chain, side view.
PDB entry 1acj coloured by chain, top view.
Source organism: Tetronarce californica
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Acetylcholinesterase
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Multimeric state: homo dimer
Accessible surface area: 35956.48 Å2
Buried surface area: 2933.49 Å2
Dissociation area: 939.12 Å2
Dissociation energy (ΔGdiss): 2.11 kcal/mol
Dissociation entropy (TΔSdiss): 14.41 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-137375

Macromolecules

Acetylcholinesterase
Chain: A
Length: 537 amino acids
Theoretical weight: 60.79 KDa
Source organism: Tetronarce californica
Expression system: Not provided
UniProt:
  • Canonical: P04058 (Residues: 22-556; Coverage: 95%)
Gene name: ache
Pfam: Carboxylesterase family
InterPro:
CATH: alpha/beta hydrolase
SCOP: Acetylcholinesterase-like
Acetylcholinesterase in PDB entry 1acj, assembly 1, front view.
Acetylcholinesterase in PDB entry 1acj, assembly 1, side view.
Acetylcholinesterase in PDB entry 1acj, assembly 1, top view.
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