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1qbg

From Proteopedia

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{{STRUCTURE_1qbg| PDB=1qbg | SCENE= }}
{{STRUCTURE_1qbg| PDB=1qbg | SCENE= }}
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'''CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)'''
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===CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)===
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==Overview==
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The crystal structure of human DT-diaphorase (NAD(P)H oxidoreductase (quinone); EC 1.6.99.2) has been determined to 2.3 A resolution. There are only minor differences in shape and volume between the active sites of the rat and human enzymes and in the hydrophobic environment in the vicinity of the substrate. The isoalloxazine ring of the bound FAD is more buried in the human structure. Molecular modeling was used to examine optimal positions for the antitumor prodrug CB1954 (5-(aziridin-1-yl)-2,4-dinitrobenzamide) in both the human and rat enzyme active sites. This suggests that the position of CB1954 in the active site of the human enzyme is very similar to that in the rat, although there are detailed differences in the predicted patterns of hydrogen bonding between side chains and the drug. Some of the differences are a consequence of the shift in position for the FAD molecule and may contribute to the observed differences in rate of the two-electron reduction of CB1954.
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The line below this paragraph, {{ABSTRACT_PUBMED_10543876}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 10543876 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10543876}}
==About this Structure==
==About this Structure==
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[[Category: Oxidoreductase]]
[[Category: Oxidoreductase]]
[[Category: Quinone]]
[[Category: Quinone]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 06:05:53 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 19:29:30 2008''

Revision as of 16:29, 27 July 2008

Image:1qbg.png

Template:STRUCTURE 1qbg

CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)

Template:ABSTRACT PUBMED 10543876

About this Structure

1QBG is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954)., Skelly JV, Sanderson MR, Suter DA, Baumann U, Read MA, Gregory DS, Bennett M, Hobbs SM, Neidle S, J Med Chem. 1999 Oct 21;42(21):4325-30. PMID:10543876

Page seeded by OCA on Sun Jul 27 19:29:30 2008

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