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1d4a

CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION

Method: X-RAY DIFFRACTION Dmax: 141.1 Å Quality: SUSPICIOUS
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1. Protein Identity and Related Structures Protein Identity & Related Structures

QUINONE REDUCTASE

Homo sapiens

UniProt P15559

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 2–274 Chain C； UniProt 2–274 Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；30 % PEG 3350 200 MM NAACETATE 12-24 MICROM FAD 100MM NA-TRICINE PH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K Resolution 1.70 Å R-free 0.253
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 2–274 Chain D； UniProt 2–274 Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；30 % PEG 3350 200 MM NAACETATE 12-24 MICROM FAD 100MM NA-TRICINE PH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K Resolution 1.70 Å R-free 0.253

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 1D4A Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1DXO Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution Deposited 2000-01-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 DQN DUROQUINONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 2.50 Å R-free 0.264
1DXO Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution Deposited 2000-01-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 DQN DUROQUINONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 2.50 Å R-free 0.264
1GG5 CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION Deposited 2000-07-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E09 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；30 % PEG 3350, 200 MM NAACETATE, 12-24 MICROM FAD, 100MM NA-TRICINE PH 8.5, pH 8.50, VAPOR DIFFUSION
Resolution 2.50 Å R-free 0.279
1GG5 CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION Deposited 2000-07-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E09 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；30 % PEG 3350, 200 MM NAACETATE, 12-24 MICROM FAD, 100MM NA-TRICINE PH 8.5, pH 8.50, VAPOR DIFFUSION
Resolution 2.50 Å R-free 0.279
1H66 CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone Deposited 2001-06-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded RH1 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 2.00 Å R-free 0.199
1H66 CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone Deposited 2001-06-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded RH1 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 2.00 Å R-free 0.199
1H69 CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION Deposited 2001-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 ARH 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 1.86 Å R-free 0.274
1H69 CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION Deposited 2001-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 ARH 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 1.86 Å R-free 0.274
1KBO Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340) Deposited 2001-11-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded 340 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；293 K；PEG 4K, Na Acetate, pH 8.5, temperature 293K
Resolution 2.30 Å R-free 0.287
1KBO Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340) Deposited 2001-11-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded 340 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；293 K；PEG 4K, Na Acetate, pH 8.5, temperature 293K
Resolution 2.30 Å R-free 0.287
1KBQ Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) Deposited 2001-11-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 936 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 1.80 Å R-free 0.252
1KBQ Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) Deposited 2001-11-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 936 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 1.80 Å R-free 0.252
1QBG CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) Deposited 1999-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–274（272 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Sitting drop, PEG4000, CYMAL-3 detergent, sodium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.30 Å R-free 0.280
1QBG CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) Deposited 1999-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–274（272 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Sitting drop, PEG4000, CYMAL-3 detergent, sodium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.30 Å R-free 0.280
1QBG CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) Deposited 1999-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 3–274（272 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Sitting drop, PEG4000, CYMAL-3 detergent, sodium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.30 Å R-free 0.280
1QBG CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) Deposited 1999-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 3–274（272 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Sitting drop, PEG4000, CYMAL-3 detergent, sodium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.30 Å R-free 0.280
1QBG CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) Deposited 1999-04-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 3–274（272 aa）
Chain D 3–274（272 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Sitting drop, PEG4000, CYMAL-3 detergent, sodium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.30 Å R-free 0.280
1QBG CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) Deposited 1999-04-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 3–274（272 aa）
Chain B 3–274（272 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Sitting drop, PEG4000, CYMAL-3 detergent, sodium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.30 Å R-free 0.280
2F1O Crystal Structure of NQO1 with Dicoumarol Deposited 2005-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain C 2–274（273 aa）
Not recorded DTC BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；298 K；0.1M NaAcetate, 50mM NaTricine, 11% PEG 3350, 5mM Dicoumarol , pH 8.1, Microbatch, temperature 298K
Resolution 2.75 Å R-free 0.282
2F1O Crystal Structure of NQO1 with Dicoumarol Deposited 2005-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded DTC BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；298 K；0.1M NaAcetate, 50mM NaTricine, 11% PEG 3350, 5mM Dicoumarol , pH 8.1, Microbatch, temperature 298K
Resolution 2.75 Å R-free 0.282
2F1O Crystal Structure of NQO1 with Dicoumarol Deposited 2005-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 2–274（273 aa）
Chain F 2–274（273 aa）
Not recorded DTC BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；298 K；0.1M NaAcetate, 50mM NaTricine, 11% PEG 3350, 5mM Dicoumarol , pH 8.1, Microbatch, temperature 298K
Resolution 2.75 Å R-free 0.282
2F1O Crystal Structure of NQO1 with Dicoumarol Deposited 2005-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 2–274（273 aa）
Chain H 2–274（273 aa）
Not recorded DTC BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；298 K；0.1M NaAcetate, 50mM NaTricine, 11% PEG 3350, 5mM Dicoumarol , pH 8.1, Microbatch, temperature 298K
Resolution 2.75 Å R-free 0.282
3JSX X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 Deposited 2009-09-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain B 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2.4M ammonium sulfate, 0.1M Tris buffer pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.45 Å R-free 0.269
3JSX X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 Deposited 2009-09-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2.4M ammonium sulfate, 0.1M Tris buffer pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.45 Å R-free 0.269
3JSX X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 Deposited 2009-09-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 2–274（273 aa）
Chain G 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2.4M ammonium sulfate, 0.1M Tris buffer pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.45 Å R-free 0.269
3JSX X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 Deposited 2009-09-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain F 2–274（273 aa）
Chain H 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2.4M ammonium sulfate, 0.1M Tris buffer pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.45 Å R-free 0.269
4CET Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution Deposited 2013-11-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Mutation：YES FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 DTC BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；PROTEIN WAS CRYSTALLIZED FROM 0.005 M CO(II)CL-HEXAHYDRATE, 0.005 M NI(II)CL-HEXAHYDRATE, 0.005 M CDCL-HYDRATE, 0.005 M MGCL-HEAXHYDRATE, 0.1 M HEPES PH 7.5, 12 % PEG-3350 (W/V)
Resolution 2.20 Å R-free 0.224
4CF6 Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with Cibacron blue at 2.7 A resolution Deposited 2013-11-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Mutation：YES Mutation：YES FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 CBD CIBACRON BLUE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；PROTEIN WAS CRYSTALLIZED FROM 60% TACSIMATE PH=7.0
Resolution 2.69 Å R-free 0.207
5A4K Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase Deposited 2015-06-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–274（274 aa）
Chain C 1–274（274 aa）
Mutation：YES Mutation：YES FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 200 MM LI2SO4, 100 MM BISTRIS (PH 6.5), 25% W/V PEG 3350, PROTEIN CONCENTRATION: 6.1 MG/ML
Resolution 2.09 Å R-free 0.201
5A4K Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase Deposited 2015-06-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain D 1–274（274 aa）
Mutation：YES Mutation：YES FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 200 MM LI2SO4, 100 MM BISTRIS (PH 6.5), 25% W/V PEG 3350, PROTEIN CONCENTRATION: 6.1 MG/ML
Resolution 2.09 Å R-free 0.201
5EA2 Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 Deposited 2015-10-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–273（273 aa）
Chain C 1–273（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG3350, Ammonium Citrate
Resolution 2.01 Å R-free 0.216
5EA2 Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 Deposited 2015-10-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 1–273（273 aa）
Chain G 1–273（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG3350, Ammonium Citrate
Resolution 2.01 Å R-free 0.216
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E6A (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 1–274（274 aa）
Chain F 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E6A (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 1–274（274 aa）
Chain H 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E6A (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 1–274（274 aa）
Chain J 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain K 1–274（274 aa）
Chain L 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E6A (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5EAI Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a Deposited 2015-10-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain M 1–274（274 aa）
Chain N 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 E6A (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；PEG3350, sodium potassium tartarate
Resolution 2.90 Å R-free 0.220
5FUQ CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL Deposited 2016-01-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Mutation：YES Mutation：YES FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 DTC BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] × 3 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9；CAPILLARY COUNTERDIFFUSION METHOD: 30% OF PEG 3350, 200 MM SODIUM-ACETATE, 100 MM SODIUM-TRICINE AT PH 9.0
Resolution 2.04 Å R-free 0.177
6FY4 Structure of human NAD(P) H:quinone oxidoreductase in complex with N-(2-bromophenyl)pyrrolidine-1-sulfonamide Deposited 2018-03-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EAW N-(2-bromophenyl)pyrrolidine-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.9；293 K；0.2 M magnesium chloride hexahydrate, 20% w/v polyethylene glycol 3350, pH 5.9
Resolution 2.76 Å R-free 0.290
6FY4 Structure of human NAD(P) H:quinone oxidoreductase in complex with N-(2-bromophenyl)pyrrolidine-1-sulfonamide Deposited 2018-03-10 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.9；293 K；0.2 M magnesium chloride hexahydrate, 20% w/v polyethylene glycol 3350, pH 5.9
Resolution 2.76 Å R-free 0.290
6LLC Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EHL 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2M Lithium Sulfate,1.8M Ammonium Sulfate,0.1M Imidazole
Resolution 2.50 Å R-free 0.265
6LLC Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–274（273 aa）
Chain F 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EHL 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2M Lithium Sulfate,1.8M Ammonium Sulfate,0.1M Imidazole
Resolution 2.50 Å R-free 0.265
6LLC Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–274（273 aa）
Chain E 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EHL 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2M Lithium Sulfate,1.8M Ammonium Sulfate,0.1M Imidazole
Resolution 2.50 Å R-free 0.265
6LLC Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 2–274（273 aa）
Chain H 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EHL 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2M Lithium Sulfate,1.8M Ammonium Sulfate,0.1M Imidazole
Resolution 2.50 Å R-free 0.265
6LLC Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 2–274（273 aa）
Chain J 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EHL 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2M Lithium Sulfate,1.8M Ammonium Sulfate,0.1M Imidazole
Resolution 2.50 Å R-free 0.265
6LLC Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain K 2–274（273 aa）
Chain L 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 EHL 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2M Lithium Sulfate,1.8M Ammonium Sulfate,0.1M Imidazole
Resolution 2.50 Å R-free 0.265
8C9J Crystal structure of human NQO1 by serial femtosecond crystallography Deposited 2023-01-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Mutation：None Mutation：None FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；293 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 20% polyethylene glycol (PEG) 3350, 20 um FAD
Resolution 2.70 Å R-free 0.269
8C9J Crystal structure of human NQO1 by serial femtosecond crystallography Deposited 2023-01-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Mutation：None Mutation：None FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；293 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 20% polyethylene glycol (PEG) 3350, 20 um FAD
Resolution 2.70 Å R-free 0.269
8OK0 Crystal structure of human NQO1 in complex with the inhibitor PMSF Deposited 2023-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–273（273 aa）
Chain B 1–273（273 aa）
Chain C 1–273（273 aa）
Chain D 1–273（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 PMS phenylmethanesulfonic acid × 5 GOL GLYCEROL × 6 ACE ACETYL GROUP × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291.15 K；0.1 M Tris pH 8.5, 0.2 M Sodium Acetate, 20% polyethylene glycol 3350
Resolution 1.60 Å R-free 0.247
8PQN NQO1 bound to RBS-10 Deposited 2023-07-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–274（273 aa）
Chain B 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 978 N-[4-(3-methylbenzamido)phenyl]-5-nitrofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.2；293 K；300mM TRIS 9.2 2.8M Ammonium Sulfate
Resolution 3.80 Å R-free 0.362
8PQN NQO1 bound to RBS-10 Deposited 2023-07-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–274（273 aa）
Chain D 2–274（273 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 978 N-[4-(3-methylbenzamido)phenyl]-5-nitrofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.2；293 K；300mM TRIS 9.2 2.8M Ammonium Sulfate
Resolution 3.80 Å R-free 0.362
8RFM Human NOQ1 enzyme in complex with NADH by serial crystallography Deposited 2023-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；293 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 20% polyethylene glycol (PEG) 3350
Resolution 2.70 Å R-free 0.243
8RFN Human NOQ1 enzyme in its holo form by serial crystallography Deposited 2023-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；293 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 20% polyethylene glycol (PEG) 3350
Resolution 2.50 Å R-free 0.239
9EZQ XFEL structure of the free hNQO1 unmixed (P3083) Deposited 2024-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；298 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350
Resolution 2.50 Å R-free 0.235
9EZR XFEL structure of hNQO1 mixed with NADH in an extended orientation at 0.3 s Deposited 2024-04-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350
Resolution 2.51 Å R-free 0.255
9EZR XFEL structure of hNQO1 mixed with NADH in an extended orientation at 0.3 s Deposited 2024-04-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350
Resolution 2.51 Å R-free 0.255
9EZS XFEL structure of free hNQO1 unmixed (P4502) Deposited 2024-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350
Resolution 2.50 Å R-free 0.229
9EZT XFEL structure of hNQO1 mixed with NADH for 1.2 s Deposited 2024-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350
Resolution 2.50 Å R-free 0.250
9ID0 XFEL structure of hNQO1 mixed with NADH in a folded orientation at 300 ms Deposited 2025-02-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–274（274 aa）
Chain B 1–274（274 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；293 K；25% PEG 3350 0.1 M Tris pH 8.5 0.2 M Sodium Acetate Protein-to-precipitant ratio: 1:3 Batch with agitation
Resolution 2.51 Å R-free 0.255
9ID0 XFEL structure of hNQO1 mixed with NADH in a folded orientation at 300 ms Deposited 2025-02-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–274（274 aa）
Chain D 1–274（274 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 8.5；293 K；25% PEG 3350 0.1 M Tris pH 8.5 0.2 M Sodium Acetate Protein-to-precipitant ratio: 1:3 Batch with agitation
Resolution 2.51 Å R-free 0.255

27 other PDB entries and 62 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NQO1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–273； UniProt 2–274 Author chain B； PDBConstruct 1–273； UniProt 2–274 Author chain C； PDBConstruct 1–273； UniProt 2–274 Author chain D； PDBConstruct 1–273； UniProt 2–274

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1d4a

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1d4a
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1d4a
Deposition date deposition_date1999-10-01
Structure title titleCRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION
Keywords keywordsFLAVOPROTEIN, ROSSMANN FOLD, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier45.03 Å
Radius of gyration Rg (electron density) rg_electron45.04 Å
Forward intensity I(0) i0215802000.00
Molecular weight molecular_weight125980.0 kDa
Excluded volume excluded_volume159260 ų
Envelope volume envelope_volume209390 ų
Hydration-shell volume shell_volume38221 ų
Envelope diameter envelope_diameter146.9 Å
Shell Rg shell_rg50.92 Å
Envelope Rg envelope_rg43.76 Å
Shape Rg shape_rg45.02 Å
Total Rg total_rg45.36 Å
Total atoms total_atoms8904
Residues n_residues1092
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax141.1 Å
Rg (real space) rg_real45.43 Å
Rg uncertainty (real space) rg_real_error1.23 Å
I(0) (real space) i0_real2.1580e+08
I(0) uncertainty (real space) i0_real_error4.2430e+06
Rg (reciprocal space) rg_reciprocal45.04 Å
I(0) (reciprocal space) i0_reciprocal215700000.0000
Solution quality estimate total_estimate0.4266
Solution quality rating solution_quality SUSPICIOUS a SUSPICIOUS solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary32.3 Å
Skewness Skewness skewness0.302
Kurtosis Kurtosis kurtosis-1.077
Angular range angular_range— – 0.1750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha106000000.0000
Real-space data points n_real_points36
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.207; Stabil: 1.000; Sysdev: 0.062; Positv: 1.000; Valcen: 0.478; Smooth: 0.256
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd1d4aa_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.5 — Flavoproteins
Family Family familyc.23.5.3 — Quinone reductase
Domain ID domain_idd1d4ab_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.5 — Flavoproteins
Family Family familyc.23.5.3 — Quinone reductase
Domain ID domain_idd1d4ac_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.5 — Flavoproteins
Family Family familyc.23.5.3 — Quinone reductase
Domain ID domain_idd1d4ad_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.5 — Flavoproteins
Family Family familyc.23.5.3 — Quinone reductase

CATH v4.4 (4 domains)

Domain ID domain_id1d4aA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily360 — Flavodoxin domain
Domain ID domain_id1d4aB00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily360 — Flavodoxin domain
Domain ID domain_id1d4aC00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily360 — Flavodoxin domain
Domain ID domain_id1d4aD00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily360 — Flavodoxin domain
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8. Citations (4)

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9. Files and Curves (10)