2bzs

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[[Image:2bzs.gif|left|200px]]<br /><applet load="2bzs" size="450" color="white" frame="true" align="right" spinBox="true"
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[[Image:2bzs.gif|left|200px]]<br /><applet load="2bzs" size="350" color="white" frame="true" align="right" spinBox="true"
caption="2bzs, resolution 2.00&Aring;" />
caption="2bzs, resolution 2.00&Aring;" />
'''BINDING OF ANTI-CANCER PRODRUG CB1954 TO THE ACTIVATING ENZYME NQO2 REVEALED BY THE CRYSTAL STRUCTURE OF THEIR COMPLEX.'''<br />
'''BINDING OF ANTI-CANCER PRODRUG CB1954 TO THE ACTIVATING ENZYME NQO2 REVEALED BY THE CRYSTAL STRUCTURE OF THEIR COMPLEX.'''<br />
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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 ZN, FAD and CB1 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://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BZS OCA].
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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].
==Reference==
==Reference==
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[[Category: zinc]]
[[Category: zinc]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 19:04:34 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:29:47 2008''

Revision as of 08:29, 3 February 2008

Image:2bzs.gif

2bzs, resolution 2.00Å

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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 with , and as ligands. Known structural/functional Site: . 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

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