Brand  (β version)

PDB ID: 1KBQ

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Ligands
Code Name Style Show Link
FAD Flavin-adenine dinucleotide PoSSuM
936 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione PoSSuM
Non-standard Residues
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Structure summary

Code : 1KBQ   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936)
Release Data : 2002-01-16
Compound :
mol_id molecule chains synonym
1 NAD(P)H dehydrogenase [quinone] 1 A,B,C,D Quinone reductase 1, DT-diaphorase, QR1, DTD, Azoreductase, Phylloquinone reductase, Menadione reductase
ec: 1.6.99.2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
Authors : Faig, M., Bianchet, M.A., Amzel, L.M.
Keywords : FLAVOENZYME, PRODRUG-ENZYME COMPLEX, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.

Winski, S.L.,Faig, M.,Bianchet, M.A.  et al.
(2001)  Biochemistry  40 : 15135 - 15142

PubMed: 11735396
DOI: 10.1021/bi011324i

Structure-based Development of Anticancer Drugs: Complexes of NAD(P)H:Quinone Reductase 1 with Chemotherapeutic Quinones

Faig, M.,Bianchet, M.A.,Winski, S.  et al.
(2001)  Structure  9 : 659 - 667

DOI: 10.1016/S0969-2126(01)00636-0

Structures of Recombinant Mouse and Human NAD(P)H:Quinone Oxidoreductases: Species Comparison and Structural Changes with Substrate Binding and Release

Faig, M.,Bianchet, M.A.,Chen, S.  et al.
(2000)  Proc.Natl.Acad.Sci.USA  97 : 3177 - 3182

DOI: 10.1073/pnas.050585797

Reaction

Chain : A, B, C, D
UniProt : P15559 (NQO1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a quinone + H(+) + NADH = a quinol + NAD(+) 1.6.5.2 PubMed:8999809, PubMed:9271353
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a quinone + H(+) + NADPH = a quinol + NADP(+) 1.6.5.2 PubMed:9271353
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H(+) + NADH + ubiquinone-10 = NAD(+) + ubiquinol-10 - PubMed:9271353
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H(+) + menadione + NADH = menadiol + NAD(+) - PubMed:8999809
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