Brand  (β version)

PDB ID: 3JSX

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Ligands
Code Name Style Show Link
FAD Flavin-adenine dinucleotide PoSSuM
CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one PoSSuM
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Structure summary

Code : 3JSX   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1
Release Data : 2010-01-12
Compound :
mol_id molecule chains synonym
1 NAD(P)H dehydrogenase [quinone] 1 A,B,C,D,E,F,G,H Quinone reductase 1, NAD(P)H:quinone oxidoreductase 1, QR1, DT-diaphorase, DTD, Azoreductase, Phylloquinone reductase, Menadione reductase
ec: 1.6.5.2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: DIA4, NMOR1, NQO1, NQO1 cDNA
expression_system_vector_type: plasmid
expression_system_plasmid: PKK 233-2
Authors : Dunstan, M.S., Levy, C., Leys, D.
Keywords : coumarin-based inhibitors, NQ01, FAD, Flavoprotein, NAD, NADP, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.450 Å )
Citation :

Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).

Nolan, K.A.,Doncaster, J.R.,Dunstan, M.S.  et al.
(2009)  J.Med.Chem.  52 : 7142 - 7156

PubMed: 19877692
DOI: 10.1021/jm9011609

Reaction

Chain : A, B, C, D, E, F, G, H
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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