2jf0: Difference between revisions
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[[Image:2jf0. | [[Image:2jf0.jpg|left|200px]]<br /><applet load="2jf0" size="450" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2jf0" size="450" color="white" frame="true" align="right" spinBox="true" | |||
caption="2jf0, resolution 2.50Å" /> | caption="2jf0, resolution 2.50Å" /> | ||
'''MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND ORTHO-7'''<br /> | '''MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND ORTHO-7'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
2JF0 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with P6G and HBP as [http://en.wikipedia.org/wiki/ligands ligands]. | 2JF0 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with P6G and HBP as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=AC1:Hbp Binding Site For Chain B'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2JF0 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: tabun]] | [[Category: tabun]] | ||
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 20:05:07 2007'' |
Revision as of 20:55, 18 December 2007
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MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND ORTHO-7
OverviewOverview
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 intact, tabun. These structures were determined by our new strategy of combining, crystallographic and mass spectrometric analyses of AChE crystals. The, results explain the relative reactivation potencies of the two oximes and, offer insights into improving known medical antidotes.Clinical, Pharmacology & Therapeutics advance online publication, 18 April 2007;, doi:10.1038/sj.clpt.6100151.
About this StructureAbout this Structure
2JF0 is a Single protein structure of sequence from Mus musculus with P6G and HBP as ligands. Known structural/functional Site: . Full crystallographic information is available from OCA.
ReferenceReference
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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