2bzs

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|PDB= 2bzs |SIZE=350|CAPTION= <scene name='initialview01'>2bzs</scene>, resolution 2.00&Aring;
|PDB= 2bzs |SIZE=350|CAPTION= <scene name='initialview01'>2bzs</scene>, resolution 2.00&Aring;
|SITE= <scene name='pdbsite=AC1:Cb1+Binding+Site+For+Chain+B'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:Cb1+Binding+Site+For+Chain+B'>AC1</scene>
-
|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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|LIGAND= <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>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
 +
|DOMAIN=
 +
|RELATEDENTRY=
 +
|RESOURCES=<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.ebi.ac.uk/pdbsum/2bzs PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bzs RCSB]</span>
}}
}}
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[[Category: Minton, N.]]
[[Category: Minton, N.]]
[[Category: Paoli, M.]]
[[Category: Paoli, M.]]
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[[Category: CB1]]
 
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[[Category: FAD]]
 
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[[Category: ZN]]
 
[[Category: cb1954]]
[[Category: cb1954]]
[[Category: fad]]
[[Category: fad]]
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[[Category: zinc]]
[[Category: zinc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:08:52 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:14:11 2008''

Revision as of 23:14, 30 March 2008

Image:2bzs.gif


PDB ID 2bzs

Drag the structure with the mouse to rotate
, resolution 2.00Å
Sites:
Ligands: , ,
Resources: FirstGlance, OCA, PDBsum, RCSB
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

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