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METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX)

X-ray diffraction
2.4Å resolution
PDB entry 1vxo coloured by chain, front view.
PDB entry 1vxo coloured by chain, side view.
PDB entry 1vxo coloured by chain, top view.
Source organism: Tetronarce californica
Assembly composition:
monomeric (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: monomeric
Accessible surface area: 20818.46 Å2
Buried surface area: 601.72 Å2
Dissociation area: 97.47 Å2
Dissociation energy (ΔGdiss): -5.96 kcal/mol
Dissociation entropy (TΔSdiss): 2.99 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-137374

Macromolecules

Acetylcholinesterase
Chain: A
Length: 537 amino acids
Theoretical weight: 60.74 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 22-558; Coverage: 95%)
Gene name: ache
Pfam: Carboxylesterase family
InterPro:
CATH: alpha/beta hydrolase
SCOP: Acetylcholinesterase-like
Acetylcholinesterase in PDB entry 1vxo, assembly 1, front view.
Acetylcholinesterase in PDB entry 1vxo, assembly 1, side view.
Acetylcholinesterase in PDB entry 1vxo, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P04058  
153750100150200250300350400450500
 
200400DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATAC
UniProt
P04058
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Sequence conservation
Molecule details ›

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