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Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct

X-ray diffraction
2.95Å resolution
PDB entry 4bc1 coloured by chain, front view.
PDB entry 4bc1 coloured by chain, side view.
PDB entry 4bc1 coloured by chain, top view.
Source organism: Mus musculus
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1
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Assembly Name: Acetylcholinesterase
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Multimeric state: monomeric
Accessible surface area: 20471.5 Å2
Buried surface area: 1521.94 Å2
Dissociation area: 47.75 Å2
Dissociation energy (ΔGdiss): 5.59 kcal/mol
Dissociation entropy (TΔSdiss): -0.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-149440
Assembly 2 (preferred)
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Assembly Name: Acetylcholinesterase
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Multimeric state: monomeric
Accessible surface area: 20515.21 Å2
Buried surface area: 1140.05 Å2
Dissociation area: 53.2 Å2
Dissociation energy (ΔGdiss): 7.43 kcal/mol
Dissociation entropy (TΔSdiss): -0.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-149440
Assembly 3
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Assembly Name: Acetylcholinesterase
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Multimeric state: monomeric
Accessible surface area: 20789.54 Å2
Buried surface area: 997.82 Å2
Dissociation area: 41.45 Å2
Dissociation energy (ΔGdiss): 4.98 kcal/mol
Dissociation entropy (TΔSdiss): -0.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-149440
Assembly 4
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Assembly Name: Acetylcholinesterase
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Multimeric state: monomeric
Accessible surface area: 20992.59 Å2
Buried surface area: 1291.62 Å2
Dissociation area: 30.29 Å2
Dissociation energy (ΔGdiss): 3.59 kcal/mol
Dissociation entropy (TΔSdiss): -0.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-149440

Macromolecules

Acetylcholinesterase
Chains: A, B, C, D
Length: 543 amino acids
Theoretical weight: 59.76 KDa
Source organism: Mus musculus
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P21836 (Residues: 32-574; Coverage: 93%)
Gene name: Ache
Pfam: Carboxylesterase family
InterPro:
CATH: alpha/beta hydrolase
Acetylcholinesterase in PDB entry 4bc1, assembly 2, front view.
Acetylcholinesterase in PDB entry 4bc1, assembly 2, side view.
Acetylcholinesterase in PDB entry 4bc1, assembly 2, top view.
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