PDBsum entry 1vxr

Hydrolase

PDB id: 1vxr

Contents

Protein chain

532 a.a. *

Ligands

NAG-NAG

NAG

_VX

MES ×2

Waters ×339

* Residue conservation analysis

PDB id:

1vxr

Name:

Hydrolase

Title:

O-ethylmethylphosphonylated acetylcholinesterase obtained by reaction with o-ethyl-s-[2-[bis(1-methylethyl)amino]ethyl] methylphosphonothioate (vx)

Structure:

Protein (acetylcholinesterase). Chain: a. Other_details: complexed with the nerve agent vx

Source:

Torpedo californica. Pacific electric ray. Organism_taxid: 7787. Organ: electric organ. Tissue: electroplaque. Cellular_location: membrane bound by gpi anchor

Resolution:

2.20Å R-factor: 0.189 R-free: 0.230

Authors:

C.B.Millard,G.Koellner,I.Silman,J.L.Sussman

Key ref:

C.B.Millard et al. (1999). Reaction products of acetylcholinesterase and vx reveal a mobile histidine in the catalytic triad. J am chem soc, 121, 9883-9884.

Date:

21-Apr-99 Release date: 15-Nov-99

Protein chain

P04058  (ACES_TETCF) -  Acetylcholinesterase from Tetronarce californica

Seq: 586 a.a.

Struc: 533 a.a.

Enzyme reactions

• Enzyme class: E.C.3.1.1.7 - acetylcholinesterase.
• Reaction: acetylcholine + H2O = choline + acetate + H⁺

acetylcholine (Bound ligand (Het Group name = NAG) matches with 41.18% similarity) + H2O = choline (Bound ligand (Het Group name = VX) matches with 42.86% similarity) + acetate (Bound ligand (Het Group name = MES) matches with 46.15% similarity) + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site