2bzs

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[[Image:2bzs.png|left|200px]]
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==BINDING OF ANTI-CANCER PRODRUG CB1954 TO THE ACTIVATING ENZYME NQO2 REVEALED BY THE CRYSTAL STRUCTURE OF THEIR COMPLEX.==
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<StructureSection load='2bzs' size='340' side='right' caption='[[2bzs]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2bzs]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BZS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BZS FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB1:5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE'>CB1</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1qr2|1qr2]], [[1sg0|1sg0]], [[1zx1|1zx1]], [[2qr2|2qr2]]</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bzs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bzs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bzs RCSB], [http://www.ebi.ac.uk/pdbsum/2bzs PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bz/2bzs_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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CB1954 is an attractive prodrug for directed-enzyme prodrug therapy (DEPT) and a conventional prodrug against tumors in which the enzyme NQO2 is highly expressed. We have determined the crystal structure of the NQO2-CB1954 complex to 2.0 A resolution. The binding of the prodrug is governed by hydrophobic forces, while two key electrostatic contacts determine the specific orientation of the ligand. The structure also reveals an unfavorable interaction, therefore suggesting possible avenues for DEPT-tailored engineering studies.
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{{STRUCTURE_2bzs| PDB=2bzs | SCENE= }}
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Binding of the anticancer prodrug CB1954 to the activating enzyme NQO2 revealed by the crystal structure of their complex.,AbuKhader M, Heap J, De Matteis C, Kellam B, Doughty SW, Minton N, Paoli M J Med Chem. 2005 Dec 1;48(24):7714-9. PMID:16302811<ref>PMID:16302811</ref>
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===BINDING OF ANTI-CANCER PRODRUG CB1954 TO THE ACTIVATING ENZYME NQO2 REVEALED BY THE CRYSTAL STRUCTURE OF THEIR COMPLEX.===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_16302811}}
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==About this Structure==
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[[2bzs]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BZS OCA].
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==See Also==
==See Also==
*[[Quinone reductase|Quinone reductase]]
*[[Quinone reductase|Quinone reductase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:016302811</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Doughty, S W.]]
[[Category: Doughty, S W.]]

Revision as of 05:29, 29 September 2014

BINDING OF ANTI-CANCER PRODRUG CB1954 TO THE ACTIVATING ENZYME NQO2 REVEALED BY THE CRYSTAL STRUCTURE OF THEIR COMPLEX.

2bzs, resolution 2.00Å

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