3JSX

X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1

Summary for 3JSX

• Entry DOI: 10.2210/pdb3jsx/pdb
• Descriptor: NAD(P)H dehydrogenase [quinone] 1, FLAVIN-ADENINE DINUCLEOTIDE, 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, ... (4 entities in total)
• Functional Keywords: coumarin-based inhibitors, nq01, fad, flavoprotein, nad, nadp, oxidoreductase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P15559
• Total number of polymer chains: 8
• Total formula weight: 255138.71

Authors

Dunstan, M.S.,Levy, C.,Leys, D. (deposition date: 2009-09-11, release date: 2010-01-12, Last modification date: 2023-11-01)

• Primary citation: Nolan, K.A.,Doncaster, J.R.,Dunstan, M.S.,Scott, K.A.,Frenkel, A.D.,Siegel, D.,Ross, D.,Barnes, J.,Levy, C.,Leys, D.,Whitehead, R.C.,Stratford, I.J.,Bryce, R.A.; Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).; J.Med.Chem., 52:7142-7156, 2009; PubMed: 19877692; DOI: 10.1021/jm9011609

Experimental method

X-RAY DIFFRACTION (2.45 Å)