2jey

From Proteopedia

Revision as of 15:27, 30 October 2007

MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH HLO-7

Overview

Organophosphorus compound-based nerve agents inhibit the essential enzyme, acetylcholinesterase (AChE) causing acute toxicity and death. Clinical, treatment of nerve-agent poisoning is to use oxime-based antidotes to, reactivate the inhibited AChE. However, the nerve agent tabun is resistant, to oximes. To design improved oximes, crystal structures of a, tabun-conjugated AChE in complex with different oximes are needed to guide, the structural modifications of known antidotes. However, this type of, structure is extremely challenging to obtain because both deamidation of, the tabun conjugate and reactivation of AChE occur during crystallographic, experiments. Here we report, for the first time, the crystal structures of, Ortho-7 and HLo-7 in complex with AChE that is conjugated to an ... [(full description)]

About this Structure

2JEY is a [Single protein] structure of sequence from [Mus musculus] with HLO and P6G as [ligands]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].

Reference

Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes., Ekstrom FJ, Astot C, Pang YP, Clin Pharmacol Ther. 2007 Apr 18;. PMID:17443135

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