5b3p

Nqo5 of the trypsin-resistant fragment (1-134) in P212121 form

Method: X-RAY DIFFRACTION D_max: 53.6 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

NADH-quinone oxidoreductase subunit 5

Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1–134	Fragment：UNP residues 1-134	CA CALCIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；200mM calcium chloride, 25% PEG 4000	Resolution 1.65 Å R-free 0.209

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 5B3P	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2FUG Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus Deposited 2006-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FES FE2/S2 (INORGANIC) CLUSTER × 2 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1M HEPES pH 7.5, 0.4-0.5M NaCl, 0.1M CaCl2 and 8-10% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.30 Å R-free 0.298
2FUG Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus Deposited 2006-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FES FE2/S2 (INORGANIC) CLUSTER × 2 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1M HEPES pH 7.5, 0.4-0.5M NaCl, 0.1M CaCl2 and 8-10% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.30 Å R-free 0.298
2FUG Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus Deposited 2006-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain N 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FES FE2/S2 (INORGANIC) CLUSTER × 2 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1M HEPES pH 7.5, 0.4-0.5M NaCl, 0.1M CaCl2 and 8-10% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.30 Å R-free 0.298
2FUG Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus Deposited 2006-01-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain W 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FES FE2/S2 (INORGANIC) CLUSTER × 2 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1M HEPES pH 7.5, 0.4-0.5M NaCl, 0.1M CaCl2 and 8-10% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.30 Å R-free 0.298
2YBB Fitted model for bovine mitochondrial supercomplex I1III2IV1 by single particle cryo-EM (EMD-1876) Deposited 2011-03-02	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 48 PDB declaration: 48-meric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 MG MAGNESIUM ION × 7 FES FE2/S2 (INORGANIC) CLUSTER × 4 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 5 SMA STIGMATELLIN A × 2 UQ1 UBIQUINONE-1 × 2 HEC HEME C × 2 CDL CARDIOLIPIN × 4 HEA HEME-A × 2 CU COPPER (II) ION × 3 ZN ZINC ION × 1	ELECTRON MICROSCOPY cryo-EM buffer 10 MM KCL, 15 MM HEPES, RESIDUAL TREHALOSE；pH 7.7；10 MM KCL, 15 MM HEPES, RESIDUAL TREHALOSE cryo-EM vitrification conditions Cryogen ETHANE；VITRIFICATION 1 -- CRYOGEN- ETHANE, HUMIDITY- 70, TEMPERATURE- 95, INSTRUMENT- CUSTOM-MADE HAND PLUNGER, METHOD- ONE- SIDED BLOTTING FOR 26 - 30 SECONDS BEFORE PLUNGING, DETAILS- SAMPLE WAS ADSORBED TO CARBON FILM FOR 30 SECONDS BEFORE BLOTTING	Resolution 19.00 Å
3I9V Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU Deposited 2009-07-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 MN MANGANESE (II) ION × 7 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M MnCl2, 6% PEG4000, 2.5% PEG400, 20 mM NAD+, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.10 Å R-free 0.283
3I9V Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU Deposited 2009-07-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 MN MANGANESE (II) ION × 5 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M MnCl2, 6% PEG4000, 2.5% PEG400, 20 mM NAD+, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.10 Å R-free 0.283
3IAM Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, reduced, 2 mol/ASU, with bound NADH Deposited 2009-07-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 MG MAGNESIUM ION × 6 FES FE2/S2 (INORGANIC) CLUSTER × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.05 M NaCl, 0.1 M MgCl2, 7% PEG4000, 3 mM NADH, 5 mM sodium dithionite, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.10 Å R-free 0.262
3IAM Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, reduced, 2 mol/ASU, with bound NADH Deposited 2009-07-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 MG MAGNESIUM ION × 4 FES FE2/S2 (INORGANIC) CLUSTER × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.05 M NaCl, 0.1 M MgCl2, 7% PEG4000, 3 mM NADH, 5 mM sodium dithionite, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.10 Å R-free 0.262
3IAS Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution Deposited 2009-07-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M CaCl2, 8% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.15 Å R-free 0.270
3IAS Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution Deposited 2009-07-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M CaCl2, 8% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.15 Å R-free 0.270
3IAS Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution Deposited 2009-07-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain N 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M CaCl2, 8% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.15 Å R-free 0.270
3IAS Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution Deposited 2009-07-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain W 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M CaCl2, 8% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.15 Å R-free 0.270
3M9S Crystal structure of respiratory complex I from Thermus thermophilus Deposited 2010-03-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 13 PDB declaration: tridecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；16% PEG 4000, 100 mM Bis-Tris, 100 mM KCl, 100 mM glutaric acid and 2.04 mM n-octyl- -maltoside fluorinated, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 4.50 Å
3M9S Crystal structure of respiratory complex I from Thermus thermophilus Deposited 2010-03-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 13 PDB declaration: tridecameric	Chain E 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；16% PEG 4000, 100 mM Bis-Tris, 100 mM KCl, 100 mM glutaric acid and 2.04 mM n-octyl- -maltoside fluorinated, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 4.50 Å
4HEA Crystal structure of the entire respiratory complex I from Thermus thermophilus Deposited 2012-10-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；100 mM Bis-Tris pH 6.0, 19% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 2.2 mM FOS-CHOLINE-8 fluorinated , VAPOR DIFFUSION, SITTING DROP, temperature 295K X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；100 mM Bis-Tris pH 6.0, 24% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 50 mM NDSB-201, VAPOR DIFFUSION, SITTING DROP, temperature 295K X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；100 mM Bis-Tris pH 6.0, 26% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.6% DDM, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.30 Å R-free 0.239
4HEA Crystal structure of the entire respiratory complex I from Thermus thermophilus Deposited 2012-10-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；100 mM Bis-Tris pH 6.0, 19% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 2.2 mM FOS-CHOLINE-8 fluorinated , VAPOR DIFFUSION, SITTING DROP, temperature 295K X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；100 mM Bis-Tris pH 6.0, 24% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 50 mM NDSB-201, VAPOR DIFFUSION, SITTING DROP, temperature 295K X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；100 mM Bis-Tris pH 6.0, 26% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.6% DDM, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.30 Å R-free 0.239
5B3Q Nqo5 of the trypsin-resistant fragment (1-134) in P63 form Deposited 2016-03-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–134（134 aa） Fragment：UNP residues 1-134	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；10% PEG 1000, 10% PEG 8000	Resolution 3.00 Å R-free 0.234
6I0D Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone Deposited 2018-10-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 DCQ 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；100 mM Bis-Tris pH 6.0, 23% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 50 mM NDSB-201	Resolution 3.60 Å R-free 0.225
6I0D Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone Deposited 2018-10-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 DCQ 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；100 mM Bis-Tris pH 6.0, 23% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 50 mM NDSB-201	Resolution 3.60 Å R-free 0.225
6I1P Respiratory complex I from Thermus thermophilus with bound NADH Deposited 2018-10-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 23% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.01 mM n-tetradecyl-beta-D-maltopyranoside	Resolution 3.21 Å R-free 0.231
6I1P Respiratory complex I from Thermus thermophilus with bound NADH Deposited 2018-10-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 23% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.01 mM n-tetradecyl-beta-D-maltopyranoside	Resolution 3.21 Å R-free 0.231
6Q8O Respiratory complex I from Thermus thermophilus with bound Piericidin A Deposited 2018-12-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 HQH Piericidin A × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 24% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 0.59 mM n-undecyl-beta-maltoside	Resolution 3.60 Å R-free 0.235
6Q8O Respiratory complex I from Thermus thermophilus with bound Piericidin A Deposited 2018-12-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 HQH Piericidin A × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 24% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 0.59 mM n-undecyl-beta-maltoside	Resolution 3.60 Å R-free 0.235
6Q8W Respiratory complex I from Thermus thermophilus with bound Aureothin. Deposited 2018-12-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 HQW Aureothin × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 25% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 7.6 mM 4-cyclohexyl-1-butyl-beta-D-maltoside	Resolution 3.40 Å R-free 0.234
6Q8W Respiratory complex I from Thermus thermophilus with bound Aureothin. Deposited 2018-12-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 HQW Aureothin × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 25% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 7.6 mM 4-cyclohexyl-1-butyl-beta-D-maltoside	Resolution 3.40 Å R-free 0.234
6Q8X Respiratory complex I from Thermus thermophilus with bound Pyridaben. Deposited 2018-12-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 HQK Pyridaben × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 21% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 1.02 mM octyl-maltoside fluorinated	Resolution 3.51 Å R-free 0.232
6Q8X Respiratory complex I from Thermus thermophilus with bound Pyridaben. Deposited 2018-12-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2 HQK Pyridaben × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；100 mM Bis-Tris pH 6.0, 21% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 1.02 mM octyl-maltoside fluorinated	Resolution 3.51 Å R-free 0.232
6Y11 Respiratory complex I from Thermus thermophilus Deposited 2020-02-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；100 mM Bis-Tris pH 6.0, 26% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.6% DDM	Resolution 3.11 Å R-free 0.229
6Y11 Respiratory complex I from Thermus thermophilus Deposited 2020-02-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain F 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；100 mM Bis-Tris pH 6.0, 26% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.6% DDM	Resolution 3.11 Å R-free 0.229
6ZIY Respiratory complex I from Thermus thermophilus, NADH dataset, major state Deposited 2020-06-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 6 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.25 Å
6ZJL Respiratory complex I from Thermus thermophilus, NAD+ dataset, major state Deposited 2020-06-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FMN FLAVIN MONONUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 6 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
6ZJN Respiratory complex I from Thermus thermophilus, NADH dataset, minor state Deposited 2020-06-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FES FE2/S2 (INORGANIC) CLUSTER × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 6 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 6.10 Å
6ZJY Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state Deposited 2020-06-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric	Chain 5 1–207（207 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 7 FES FE2/S2 (INORGANIC) CLUSTER × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 6 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 5.50 Å

18 other PDB entries and 34 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NQO5_THET8
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–134； UniProt 1–134

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5b3p
Deposition date deposition_date	2016-03-09
Structure title title	Nqo5 of the trypsin-resistant fragment (1-134) in P212121 form
Keywords keywords	NADH-ubiquinone oxidoreductase, complex I, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	16.36 Å
Radius of gyration Rg (electron density) rg_electron	14.94 Å
Forward intensity I(0) i0	4509500.00
Molecular weight molecular_weight	15741.0 kDa
Excluded volume excluded_volume	19877 Å³
Envelope volume envelope_volume	22527 Å³
Hydration-shell volume shell_volume	12928 Å³
Envelope diameter envelope_diameter	54.6 Å
Shell Rg shell_rg	20.64 Å
Envelope Rg envelope_rg	15.49 Å
Shape Rg shape_rg	14.93 Å
Total Rg total_rg	16.09 Å
Total atoms total_atoms	1111
Residues n_residues	134
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	53.6 Å
Rg (real space) rg_real	16.27 Å
Rg uncertainty (real space) rg_real_error	0.33 Å
I(0) (real space) i0_real	4.5100e+06
I(0) uncertainty (real space) i0_real_error	4.9130e+04
Rg (reciprocal space) rg_reciprocal	16.28 Å
I(0) (reciprocal space) i0_reciprocal	4510000.0000
Solution quality estimate total_estimate	0.8063
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	20.6 Å
Skewness Skewness skewness	0.182
Kurtosis Kurtosis kurtosis	-0.331
Angular range angular_range	— – 0.4850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	701600.0000
Real-space data points n_real_points	79
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.827; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	NADH-quinone oxidoreductase subunit 5
Molecular weight formula_weight	15646.8 kDa
EC 编号 ec_number	1.6.5.11
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1256

MRLERVLEEARAKGYPIEDNGLGNLWVVLPRERFKEEMAHYKAMGFNFLADIVGLDYLTYPDPRPERFAVVYELVSLPGWKDGDGSRFFVRVYVPEEDPRLPTVTDLWGSANFLEREVYDLFGIVFEGHPDLRK

来源 Source

来源生物 organism	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
NCBI Class编号 ncbi_taxonomy_id	300852
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	120

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	5b3pA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	460 — Beta Polymerase; domain 2
Homologous superfamily homologous superfamily	80 — NADH:ubiquinone oxidoreductase Nqo5 subunit

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8. Citations (1)

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Unit-cell length a length_a	41.264 Å
Unit-cell length b length_b	42.185 Å
Unit-cell length c length_c	70.095 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.652 Å
Low-resolution limit resolution_low	29.498 Å
R factor r_factor	0.1721
R_work r_work	0.1703
R_free r_free	0.2092

fit	/app/data/saxs_computation/b3/5b3p/5b3p.fit
pddf	/app/data/pr_computation/b3/5b3p/5b3p.pr.out
profile	/app/data/saxs_computation/b3/5b3p/5b3p.dat