2bzs

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[[Image:2bzs.gif|left|200px]]<br /><applet load="2bzs" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2bzs.gif|left|200px]]
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caption="2bzs, resolution 2.00&Aring;" />
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'''BINDING OF ANTI-CANCER PRODRUG CB1954 TO THE ACTIVATING ENZYME NQO2 REVEALED BY THE CRYSTAL STRUCTURE OF THEIR COMPLEX.'''<br />
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{{Structure
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|PDB= 2bzs |SIZE=350|CAPTION= <scene name='initialview01'>2bzs</scene>, resolution 2.00&Aring;
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|SITE= <scene name='pdbsite=AC1:Cb1+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> and <scene name='pdbligand=CB1:5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE'>CB1</scene>
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|ACTIVITY=
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|GENE=
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}}
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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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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2BZS is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=FAD:'>FAD</scene> and <scene name='pdbligand=CB1:'>CB1</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=AC1:Cb1+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BZS OCA].
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2BZS is a [[Single protein]] structure of 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].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16302811 16302811]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16302811 16302811]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: zinc]]
[[Category: zinc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:43:21 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:08:52 2008''

Revision as of 14:08, 20 March 2008

Image:2bzs.gif


PDB ID 2bzs

Drag the structure with the mouse to rotate
, resolution 2.00Å
Sites:
Ligands: , and
Coordinates: save as pdb, mmCIF, xml



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


Overview

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.

About this Structure

2BZS is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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

Page seeded by OCA on Thu Mar 20 16:08:52 2008

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