2jf0

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[[Image:2jf0.jpg|left|200px]]<br /><applet load="2jf0" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2jf0.jpg|left|200px]]
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caption="2jf0, resolution 2.50&Aring;" />
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'''MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND ORTHO-7'''<br />
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{{Structure
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|PDB= 2jf0 |SIZE=350|CAPTION= <scene name='initialview01'>2jf0</scene>, resolution 2.50&Aring;
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|SITE= <scene name='pdbsite=AC1:Hbp+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene> and <scene name='pdbligand=HBP:1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME'>HBP</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND ORTHO-7'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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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 <scene name='pdbligand=P6G:'>P6G</scene> and <scene name='pdbligand=HBP:'>HBP</scene> 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://oca.weizmann.ac.il/oca-bin/ocashort?id=2JF0 OCA].
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2JF0 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JF0 OCA].
==Reference==
==Reference==
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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 Sep;82(3):282-93. Epub 2007 Apr 18. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17443135 17443135]
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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 Sep;82(3):282-93. Epub 2007 Apr 18. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17443135 17443135]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: tabun]]
[[Category: tabun]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:02:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:41:03 2008''

Revision as of 15:41, 20 March 2008

Image:2jf0.jpg


PDB ID 2jf0

Drag the structure with the mouse to rotate
, resolution 2.50Å
Sites:
Ligands: and
Coordinates: save as pdb, mmCIF, xml



MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND ORTHO-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 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.

About this Structure

2JF0 is a Single protein structure of sequence from Mus musculus. 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 Sep;82(3):282-93. Epub 2007 Apr 18. PMID:17443135

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