1wua

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[[Image:1wua.gif|left|200px]]<br /><applet load="1wua" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1wua.gif|left|200px]]
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caption="1wua, resolution 1.45&Aring;" />
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'''The structure of Aplyronine A-actin complex'''<br />
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{{Structure
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|PDB= 1wua |SIZE=350|CAPTION= <scene name='initialview01'>1wua</scene>, resolution 1.45&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ATP:ADENOSINE-5'-TRIPHOSPHATE'>ATP</scene> and <scene name='pdbligand=AP8:(8R,9R,10R,11R,14S,18S,20S,24S)-24-{(1R,2S,3R,6R,7R,8R,9S,10E)-8-(ACETYLOXY)-6-[(N,N-DIMETHYLALANYL)OXY]-11-[FORMYL(METHYL)AMINO]-2-HYDROXY-1,3,7,9-TETRAMETHYLUNDEC-10-ENYL}-10-HYDROXY-14,20-DIMETHOXY-9,11,15,18-TETRAMETHYL-2-OXOOXACYCLOTETRACOSA-3,5,15,21-TETRAEN-8-YL N,N,O-TRIMETHYLSERINATE'>AP8</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''The structure of Aplyronine A-actin complex'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1WUA is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus] with <scene name='pdbligand=CA:'>CA</scene>, <scene name='pdbligand=ATP:'>ATP</scene> and <scene name='pdbligand=AP8:'>AP8</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WUA OCA].
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1WUA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WUA OCA].
==Reference==
==Reference==
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Structure basis for antitumor effect of aplyronine a., Hirata K, Muraoka S, Suenaga K, Kuroda T, Kato K, Tanaka H, Yamamoto M, Takata M, Yamada K, Kigoshi H, J Mol Biol. 2006 Mar 3;356(4):945-54. Epub 2005 Dec 27. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16406066 16406066]
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Structure basis for antitumor effect of aplyronine a., Hirata K, Muraoka S, Suenaga K, Kuroda T, Kato K, Tanaka H, Yamamoto M, Takata M, Yamada K, Kigoshi H, J Mol Biol. 2006 Mar 3;356(4):945-54. Epub 2005 Dec 27. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16406066 16406066]
[[Category: Oryctolagus cuniculus]]
[[Category: Oryctolagus cuniculus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: ATP]]
[[Category: ATP]]
[[Category: CA]]
[[Category: CA]]
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[[Category: aplyronine a]]
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[[Category: aplyronine some]]
[[Category: macrolide]]
[[Category: macrolide]]
[[Category: marine sponge]]
[[Category: marine sponge]]
[[Category: potent antitumor effect]]
[[Category: potent antitumor effect]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:48:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:01:36 2008''

Revision as of 13:01, 20 March 2008

Image:1wua.gif


PDB ID 1wua

Drag the structure with the mouse to rotate
, resolution 1.45Å
Ligands: , and
Coordinates: save as pdb, mmCIF, xml



The structure of Aplyronine A-actin complex


Overview

Aplyronine A, isolated from the sea hare Aplysia kurodai, possesses an exceedingly potent antitumor effect in vivo and it is one of the promising candidates as an anticancer drug. This macrolide is known to depolymerize F-actin and inhibit the polymerization of actin by forming a 1:1 complex with monomeric actin. The first complex structure of actin-aplyronine A was determined via a synchrotron X-ray analysis at a 1.45 A resolution. As expected, aplyronine A binds to a hydrophobic cleft composed of subdomains 1 and 3 of actin by intercalating its aliphatic tail part into the actin molecule as do the other reported F-actin depolymerizing agents. Unexpectedly, this complex structure shows the specific structural features around the trimethylserine moiety, revealed as an important moiety of aplyronine A for cytotoxicity against HeLa cells. Combining this result and our previous one, the moiety should strongly relate to the specific biological activity of aplyronine A; i.e. a potent antitumor effect.

About this Structure

1WUA is a Single protein structure of sequence from Oryctolagus cuniculus. Full crystallographic information is available from OCA.

Reference

Structure basis for antitumor effect of aplyronine a., Hirata K, Muraoka S, Suenaga K, Kuroda T, Kato K, Tanaka H, Yamamoto M, Takata M, Yamada K, Kigoshi H, J Mol Biol. 2006 Mar 3;356(4):945-54. Epub 2005 Dec 27. PMID:16406066

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