3b3a

Structure of E163K/R145E DJ-1

Method: X-RAY DIFFRACTION D_max: 49.6 Å Quality: GOOD

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

Protein DJ-1

Homo sapiens

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 1–189	Mutation：E163K/R145E	CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；30% PEG 3000, 100 mM HEPES, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.50 Å R-free 0.203

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 3B3A	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1J42 Crystal Structure of Human DJ-1 Deposited 2003-02-26	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；295 K；sodium acetate, EVAPORATION, temperature 295K, pH 4-9, pH 6.5	Resolution 2.50 Å R-free 0.249
1J42 Crystal Structure of Human DJ-1 Deposited 2003-02-26	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；295 K；sodium acetate, EVAPORATION, temperature 295K, pH 4-9, pH 6.5	Resolution 2.50 Å R-free 0.249
1P5F Crystal Structure of Human DJ-1 Deposited 2003-04-26	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；PEG 400, tris-HCl, sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 23K	Resolution 1.10 Å R-free 0.161
1P5F Crystal Structure of Human DJ-1 Deposited 2003-04-26	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 A 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；PEG 400, tris-HCl, sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 23K	Resolution 1.10 Å R-free 0.161
1PDV Crystal structure of human DJ-1, P 31 2 1 space group Deposited 2003-05-20	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10% PEG3350, 100 mM Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.215
1PDW Crystal structure of human DJ-1, P 1 21 1 space group Deposited 2003-05-20	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 1–189（189 aa） Chain B 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.20 Å R-free 0.243
1PDW Crystal structure of human DJ-1, P 1 21 1 space group Deposited 2003-05-20	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 1–189（189 aa） Chain D 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.20 Å R-free 0.243
1PDW Crystal structure of human DJ-1, P 1 21 1 space group Deposited 2003-05-20	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain E 1–189（189 aa） Chain F 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.20 Å R-free 0.243
1PDW Crystal structure of human DJ-1, P 1 21 1 space group Deposited 2003-05-20	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain G 1–189（189 aa） Chain H 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.20 Å R-free 0.243
1PE0 Crystal structure of the K130R mutant of human DJ-1 Deposited 2003-05-20	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 1–189（189 aa） Chain B 1–189（189 aa）	Mutation：K130R Mutation：K130R	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20% PEG3350, 100 mM Bis-tris(7.0), 50 mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.70 Å R-free 0.231
1Q2U Crystal structure of DJ-1/RS and implication on familial Parkinson's disease Deposited 2003-07-26	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；12% PEG 3350, 0.1M Tris.base, 5% MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.60 Å R-free 0.202
1Q2U Crystal structure of DJ-1/RS and implication on familial Parkinson's disease Deposited 2003-07-26	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；12% PEG 3350, 0.1M Tris.base, 5% MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.60 Å R-free 0.202
1SOA Human DJ-1 with sulfinic acid Deposited 2004-03-13	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；peg 400, sodium citrate, tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.20 Å R-free 0.141
1UCF The Crystal Structure of DJ-1, a Protein Related to Male Fertility and Parkinson's Disease Deposited 2003-04-11	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 1–189（189 aa） Chain B 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；sodium citrate, HEPES, DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.95 Å R-free 0.195
2OR3 Pre-oxidation Complex of Human DJ-1 Deposited 2007-02-01	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 1–189（189 aa） Chain B 1–189（189 aa）	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；28% PEG 4000, 200 mM ammonium sulfate, 50 mM sodium acetate, 2.5 mM epigallocatechin 3-gallate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.20 Å R-free 0.182
2R1T dopamine quinone conjugation to DJ-1 Deposited 2007-08-23	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 2–188（187 aa） Chain B 2–188（187 aa）	Mutation：C106A Mutation：C106A Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；29% PEG4K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 1.70 Å R-free 0.236
2R1U DJ-1 activation by catechol quinone modification Deposited 2007-08-23	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 2–188（187 aa） Chain B 2–188（187 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；29%PEG4K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 1.50 Å R-free 0.195
2R1V Norepinephrine quinone conjugation to DJ-1 Deposited 2007-08-23	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 2–188（187 aa） Chain B 2–188（187 aa）	Mutation：C106A Mutation：C106A Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；29% PEG4K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 1.70 Å R-free 0.202
2RK3 Structure of A104T DJ-1 Deposited 2007-10-16	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–189（189 aa）	Mutation：A104T	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；30% PEG 3000, 100 mM HEPES, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.05 Å R-free 0.150
2RK4 Structure of M26I DJ-1 Deposited 2007-10-16	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–189（189 aa）	Mutation：M26I	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；30% PEG 3000, 100 mM HEPES, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.15 Å R-free 0.156
2RK6 Structure of E163K DJ-1 Deposited 2007-10-16	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 1–189（189 aa）	Mutation：E163K Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.5 M sodium citrate, 20 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.15 Å R-free 0.175
3B36 Structure of M26L DJ-1 Deposited 2007-10-19	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 1–189（189 aa）	Mutation：M26I	CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 16	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；30% PEG 3000, 100 mM HEPES, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50	Resolution 1.50 Å R-free 0.175
3B38 Structure of A104V DJ-1 Deposited 2007-10-19	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–189（189 aa）	Mutation：A104V	EDO 1,2-ETHANEDIOL × 14	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；30% PEG 3000, 100 mM HEPES, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.85 Å R-free 0.226
3BWE Crystal structure of aggregated form of DJ1 Deposited 2008-01-09	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 1–189（189 aa） Chain B 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；EVAPORATION	Resolution 2.40 Å R-free 0.282
3BWE Crystal structure of aggregated form of DJ1 Deposited 2008-01-09	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 1–189（189 aa） Chain D 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；EVAPORATION	Resolution 2.40 Å R-free 0.282
3BWE Crystal structure of aggregated form of DJ1 Deposited 2008-01-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain E 1–189（189 aa） Chain F 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；EVAPORATION	Resolution 2.40 Å R-free 0.282
3BWE Crystal structure of aggregated form of DJ1 Deposited 2008-01-09	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain G 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；EVAPORATION	Resolution 2.40 Å R-free 0.282
3CY6 Crystal Structure of E18Q DJ-1 Deposited 2008-04-25	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 1–189（189 aa）	Mutation：E18Q	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.5 M sodium citrate, 50 mM HEPES, 10 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.35 Å R-free 0.168
3CYF Crystal Structure of E18N DJ-1 Deposited 2008-04-25	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 1–189（189 aa）	Mutation：E18N Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6 M sodium citrate, 50 mM HEPES, 10 mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.60 Å R-free 0.184
3CZ9 Crystal Structure of E18L DJ-1 Deposited 2008-04-28	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 1–189（189 aa）	Mutation：E18L	P4C O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.5 M sodium citrate, 50 mM HEPES, 10 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.15 Å R-free 0.140
3CZA Crystal Structure of E18D DJ-1 Deposited 2008-04-28	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 1–189（189 aa）	Mutation：E18D	MLA MALONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.5 M sodium citrate, 50 mM HEPES, 10 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.20 Å R-free 0.164
3EZG Crystal structure of E18Q DJ-1 with oxidized C106 Deposited 2008-10-22	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 1–189（189 aa）	Mutation：E18Q Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；30% PEG400, 50 mM HEPES, 125 mM sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.15 Å R-free 0.145
3F71 Crystal structure of E18D DJ-1 with oxidized C106 Deposited 2008-11-07	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 1–189（189 aa）	Mutation：E18D Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.5 M sodium citrate, 25 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.20 Å R-free 0.155
3SF8 Structural insights into thiol stabilization of DJ-1 Deposited 2011-06-13	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 1–189（189 aa） Chain B 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；293 K；45% (v/v) polyproylene glycol 400, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.56 Å R-free 0.211
4BTE DJ-1 Cu(I) complex Deposited 2013-06-14	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 1–189（189 aa）	Not recorded	CU1 COPPER (I) ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.38 Å R-free 0.150
4MNT Crystal structure of human DJ-1 in complex with Cu Deposited 2013-09-11	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 1–189（189 aa）	Not recorded	CU COPPER (II) ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.2 M Sodium Malonate, 20% w/v PEG 3350, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.58 Å R-free 0.177
4MTC Crystal structure of human C53A DJ-1 Deposited 2013-09-19	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 1–189（189 aa）	Mutation：C53A	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.2 M Sodium Malonate, 20% w/v PEG 3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.47 Å R-free 0.165
4N0M Crystal structure of human C53A DJ-1 in complex with Cu Deposited 2013-10-02	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 1–189（189 aa）	Mutation：C53A	CU COPPER (II) ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.2 M Sodium Malonate, 20% w/v PEG 3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.95 Å R-free 0.175
4N12 Crystal structure of human E18D DJ-1 in complex with Cu Deposited 2013-10-03	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 1–189（189 aa）	Mutation：E18D Non-standard monomer：Yes (specific site not provided by mmCIF)	CU COPPER (II) ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.2 M Sodium Malonate and 20% w/v PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.48 Å R-free 0.174
4OGF Crystal Structure of Human DJ-1 with glyoxylate as substrate analog Deposited 2014-01-16	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 2–188（187 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；0.1 M HEPES, 1.4 M sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP	Resolution 1.60 Å R-free 0.235
4OQ4 Crystal Structure of E18A Human DJ-1 Deposited 2014-02-07	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 1–189（189 aa）	Mutation：E18A Non-standard monomer：Yes (specific site not provided by mmCIF)	NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.3-1.6 M sodium citrate, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.49 Å R-free 0.139
4P2G Crystal structure of DJ-1 in sulfinic acid form (aged crystal) Deposited 2014-03-04	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	1PE PENTAETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；200 mM sodium citrate 30% (v:v) PEG400	Resolution 1.35 Å R-free 0.120
4P34 Crystal structure of DJ-1 in sulfenic acid form (fresh crystal) Deposited 2014-03-05	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	1PE PENTAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；200 mM sodium citrate 30% (v:v) PEG-400	Resolution 1.55 Å R-free 0.151
4P35 Crystal structure of DJ-1 with Zinc(II) bound (crystal I) Deposited 2014-03-05	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 1–189（189 aa）	Not recorded	ZN ZINC ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM TRIS 20% (v:v) PEG-400 Co-crystal with 500 uM Zn(II)	Resolution 1.75 Å R-free 0.171
4P36 Crystal structure of DJ-1 With Zn(II) bound (crystal 2) Deposited 2014-03-05	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 2 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；200 mM Sodium citrate 30% (v:v) PEG-400 500 uM Zinc sulfate	Resolution 1.18 Å R-free 0.138
4RKW Crystal structure of DJ-1 Deposited 2014-10-14	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；298 K；28-32% PEG400, 100 mM citrate, pH 4.6, VAPOR DIFFUSION, temperature 298.0K	Resolution 1.50 Å R-free 0.153
4RKY Crystal structure of DJ-1 isoform X1 Deposited 2014-10-14	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；298 K；28-32% PEG400, 100 mM citrate, pH 4.6, VAPOR DIFFUSION, temperature 298K	Resolution 1.50 Å R-free 0.193
4S0Z Crystal structure of M26V human DJ-1 Deposited 2015-01-07	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 1–189（189 aa）	Mutation：M26V	EDO 1,2-ETHANEDIOL × 8 ACT ACETATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；100 mM Tris-HCl pH 9.0, 200 mM sodium acetate trihydrate, 25% PEG 4000 and 3 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.45 Å R-free 0.132
4ZGG Crystal structure of a DJ-1 (PARK7) from Homo sapiens at 1.23 A resolution Deposited 2015-04-22	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；5.00% polyethylene glycol 6000, 0.1M TRIS pH 8.0	Resolution 1.23 Å R-free 0.134
4ZGG Crystal structure of a DJ-1 (PARK7) from Homo sapiens at 1.23 A resolution Deposited 2015-04-22	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；5.00% polyethylene glycol 6000, 0.1M TRIS pH 8.0	Resolution 1.23 Å R-free 0.134
5IP5 Human DJ-1 complexed with Na-K-tartrate Deposited 2016-03-09	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	TLA L(+)-TARTARIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；295 K；1.5 M sodium potassium tartrate, 3.5 M ammonium sulfate, 0.1 M Na-Cacodylate	Resolution 1.66 Å R-free 0.164
5SY6 Atomic resolution structure of human DJ-1, DTT bound Deposited 2016-08-10	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 1–189（189 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；23-27% PEG 3000, 100 mM HEPES, 200 mM NaCl, 10 mM dithiothreitol (DTT)	Resolution 1.15 Å R-free 0.129
5SY9 Atomic resolution structure of E15Q mutant human DJ-1 Deposited 2016-08-10	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 1–189（189 aa）	Mutation：E15Q Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25-28% PEG 4000, 0.1 M Tris HCl, 0.1 M sodium citrate	Resolution 1.10 Å R-free 0.137
5SYA Atomic resolution structure of D24N mutant human DJ-1 Deposited 2016-08-10	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 1–189（189 aa）	Mutation：D24N Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；23-27% polyethylene glycol (PEG) 4000, 0.2 M Sodium Citrate, and 0.1 M Tris HCl	Resolution 1.10 Å R-free 0.128
6AF5 DJ-1 after backsoaking Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	ISN ISATIN × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.65 Å R-free 0.176
6AF7 DJ-1 C106S unbound Deposited 2018-08-08	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 1–189（189 aa）	Mutation：C106S	1PE PENTAETHYLENE GLYCOL × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；pH 8.5, 100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.30 Å R-free 0.120
6AF9 DJ-1 with isatin bound (high concentration) Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	ISN ISATIN × 6 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.39 Å R-free 0.135
6AFA DJ-1 with isatin (low concentration) Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	ISN ISATIN × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.65 Å R-free 0.187
6AFB DJ-1 C106S incubated with isatin Deposited 2018-08-08	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 1–189（189 aa）	Mutation：C106S	ISN ISATIN × 4 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG-400, 5mM DTT	Resolution 1.60 Å R-free 0.172
6AFC DJ-1 with compound 4 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	72R 5-fluoranyl-1~{H}-indole-2,3-dione × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG-400, 5mM DTT	Resolution 1.45 Å R-free 0.160
6AFD DJ-1 with compound 6 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	72S 7-methyl-1~{H}-indole-2,3-dione × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG-400, 5mM DTT	Resolution 1.48 Å R-free 0.143
6AFE DJ-1 with compound 7 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	72T 7-(trifluoromethyl)-1~{H}-indole-2,3-dione × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.50 Å R-free 0.146
6AFF DJ-1 with compound 8 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	72U methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.60 Å R-free 0.177
6AFG DJ-1 with compound 9 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	72V 1-methylindole-2,3-dione × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.50 Å R-free 0.148
6AFH DJ-1 with compound 10 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	73F 1-(2-phenylethyl)indole-2,3-dione × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.65 Å R-free 0.192
6AFI DJ-1 with compound 11 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	73D 1-ethylindole-2,3-dione × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.65 Å R-free 0.183
6AFJ DJ-1 with compound 13 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	73G butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.48 Å R-free 0.172
6AFL DJ-1 with compound 15 Deposited 2018-08-08	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 1–189（189 aa）	Not recorded	73H 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT	Resolution 1.60 Å R-free 0.174
6E5Z Crystal structure of human DJ-1 with a natural modification on Cys-106 Deposited 2018-07-23	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPES-Na, 1.5M Tri-sodium citrate dihydrate pH=7.5	Resolution 1.35 Å R-free 0.139
6M8Z Crystal structure of human DJ-1 without a modification on Cys-106 Deposited 2018-08-22	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 1–189（189 aa）	Not recorded	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；500 nL of protein in 50 mM Tris pH 8.0 and 500 mM NaCl were mixed with 500nL of 0.1M Bis-tris pH 5.5, 0.1M KSCN, and 29% PEG MME 2000	Resolution 1.83 Å R-free 0.204
7C62 The Crystal Structure of Parkinson disease protein 7 (DJ-1) from Biortus Deposited 2020-05-21	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 1–189（189 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.1 M DL-Malic acid pH 7.0	Resolution 2.03 Å R-free 0.174
7PA2 PARK7 with inhibitor 8RK64 Deposited 2021-07-28	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 AAA 1–189（189 aa）	Not recorded	6SI (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；0.1 M Bicine pH 9.0 10% (w/v) PEG 20 000 2% (w/v) 1,4-dioxane	Resolution 1.21 Å R-free 0.155
7PA3 PARK7 with covalent inhibitor JYQ-88 Deposited 2021-07-28	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain AAA 1–189（189 aa）	Not recorded	6SI (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Ammonium sulfate 0.1 M Bis-Tris pH 5.5 25% (w/v) PEG 3350	Resolution 1.42 Å R-free 0.214
8PPW Structure of human PARK7 in complex with GK16S Deposited 2023-07-10	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 1–189（189 aa）	Not recorded	86F (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；22.3% (v/v) PEG3350, 230 mM KNO3	Resolution 1.53 Å R-free 0.182
8PQ0 Structure of human PARK7 in complex with GK16R Deposited 2023-07-10	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 1–189（189 aa）	Not recorded	8RX (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；18.6% (v/v) PEG3350, 170 mM NaNO3	Resolution 1.48 Å R-free 0.182
9CEI Human DJ-1, no mixing, pink beam time-resolved serial crystallography Deposited 2024-06-26	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.235
9CFI Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography Deposited 2024-06-27	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 1–189（189 aa）	Not recorded	4Y8 1-hydroxypropan-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.235
9CFM Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography Deposited 2024-06-27	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 1–189（189 aa）	Not recorded	4Y8 1-hydroxypropan-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.240
9CFO Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography Deposited 2024-06-27	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.231
9CFQ Human DJ-1, no mixing, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-27	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 1.90 Å R-free 0.169
9CFY Human DJ-1, 15 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography Deposited 2024-06-27	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.230
9CFZ Human DJ-1, 20 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography Deposited 2024-06-27	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 1–189（189 aa）	Not recorded	4Y8 1-hydroxypropan-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.237
9CG0 Human DJ-1, 30 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography Deposited 2024-06-28	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350	Resolution 1.77 Å R-free 0.236
9CGA Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-28	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 1–189（189 aa）	Not recorded	4Y8 1-hydroxypropan-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 2.01 Å R-free 0.178
9CGB Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-28	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 1–189（189 aa）	Not recorded	4Y8 1-hydroxypropan-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 2.01 Å R-free 0.188
9CGD Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-28	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 1.97 Å R-free 0.177
9CGE Human DJ-1, 15 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-28	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 1.90 Å R-free 0.176
9CGF Human DJ-1, 20 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-28	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 1–189（189 aa）	Not recorded	4Y8 1-hydroxypropan-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 2.06 Å R-free 0.190
9CGG Human DJ-1, 30 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed Deposited 2024-06-28	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 2.01 Å R-free 0.182
9CMX Human DJ-1, fixed target serial crystallography Deposited 2024-07-15	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 1–189（189 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 1.63 Å R-free 0.168
9CMY Human DJ-1, 6.5-18.5 min mixing with methylglyoxal, fixed target serial crystallography Deposited 2024-07-15	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 1–189（189 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 7.5；293 K；100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350	Resolution 1.69 Å R-free 0.175
9K7Q Parkinson disease protein 7 (DJ-1) and Alpha-synuclein (Alpha-syn) complex Deposited 2024-10-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	Chain A 2–188（187 aa） Chain D 2–188（187 aa） Chain E 2–188（187 aa） Chain F 2–188（187 aa） Chain H 2–188（187 aa） Chain J 2–188（187 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Sodium iodide, 20% w/v Polyethylene glycol 3,350, pH 7.0	Resolution 4.58 Å R-free 0.222
9YCU Protiated human DJ-1, 100K Deposited 2025-09-19	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 1–189（189 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；22-24% PEG 3000, 200 mM NaCl, and 100 mM HEPES, pH 7.5	Resolution 1.05 Å R-free 0.134
9YFR perdeuterated human DJ-1, 100K Deposited 2025-09-26	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 1–189（189 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；22-24% PEG 3000, 200 mM NaCl, and 100 mM HEPES, pH 7.5	Resolution 0.92 Å R-free 0.113
9YGX I21T mutant human DJ-1 Deposited 2025-09-29	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 1–189（189 aa）	Mutation：I21T	EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；22-27% PEG4000, 0.2 M sodium acetate, and 100 mM Tris HCl, pH=7.4	Resolution 0.97 Å R-free 0.113
9YH8 M17T Human DJ-1 Deposited 2025-09-30	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 1–189（189 aa）	Mutation：M17T	EDO 1,2-ETHANEDIOL × 10 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；19-22% PEG 4000, 200 mM MgCl2, and 100 mM Tris HCl, pH=8.5	Resolution 1.00 Å R-free 0.130
9YZV Joint Xray/Neutron structure of human DJ-1 at room temperature Deposited 2025-10-30	Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–189（189 aa）	Not recorded	D8U deuterium(1+) × 2	Experimental method not declared X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；20% PEG3350, 100 mM HEPES pH=7.5 and 200 mM KCl	Resolution not provided

87 other PDB entries and 97 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	PARK7_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–192； UniProt 1–189

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	3b3a
Deposition date deposition_date	2007-10-19
Structure title title	Structure of E163K/R145E DJ-1
Keywords keywords	;PARKINSON'S DISEASE, THIJ, PFPI, Chaperone, Cytoplasm, Disease mutation, Nucleus, Oncogene, Oxidation, Parkinson disease, Phosphorylation, Polymorphism, Ubl conjugation ;; CHAPERONE
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	16.53 Å
Radius of gyration Rg (electron density) rg_electron	15.17 Å
Forward intensity I(0) i0	7219350.00
Molecular weight molecular_weight	19821.0 kDa
Excluded volume excluded_volume	25015 Å³
Envelope volume envelope_volume	27729 Å³
Hydration-shell volume shell_volume	15095 Å³
Envelope diameter envelope_diameter	49.5 Å
Shell Rg shell_rg	21.35 Å
Envelope Rg envelope_rg	15.54 Å
Shape Rg shape_rg	15.16 Å
Total Rg total_rg	16.32 Å
Total atoms total_atoms	1386
Residues n_residues	187
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	49.6 Å
Rg (real space) rg_real	16.38 Å
Rg uncertainty (real space) rg_real_error	0.25 Å
I(0) (real space) i0_real	7.2190e+06
I(0) uncertainty (real space) i0_real_error	8.3320e+04
Rg (reciprocal space) rg_reciprocal	16.40 Å
I(0) (reciprocal space) i0_reciprocal	7219000.0000
Solution quality estimate total_estimate	0.8994
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.5 Å
Skewness Skewness skewness	0.030
Kurtosis Kurtosis kurtosis	-0.484
Angular range angular_range	— – 0.4800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1667000.0000
Real-space data points n_real_points	78
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.979

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	Protein DJ-1
Molecular weight formula_weight	20171.3 kDa
Mutation mutation	E163K/R145E
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	1630

GSHMASKRALVILAKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDASLEDAKKEGPYDVVVLPGGNLGAQNLSESAAVKEILKEQENRKGLIAAICAGPTALLAHEIGFGSKVTTHPLAKDKMMNGGHYTYSENEVEKDGLILTSRGPGTSFKFALAIVEALNGKEVAAQVKAPLVLKD

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	208

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3b3aa1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
Family Family family	c.23.16.2 — DJ-1/PfpI

Domain ID domain_id	d3b3aa2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (1 domains)

Domain ID domain_id	3b3aA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

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8. Citations (1)

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Unit-cell length a length_a	74.987 Å
Unit-cell length b length_b	74.987 Å
Unit-cell length c length_c	75.110 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 31 2 1
Space-group number int_tables_number	152
Crystal system crystal_system	—

Resolution resolution	1.500 Å
Low-resolution limit resolution_low	50.000 Å
R factor r_factor	0.1831
R_work r_work	0.1820
R_free r_free	0.2031

fit	/app/data/saxs_computation/b3/3b3a/3b3a.fit
pddf	/app/data/pr_computation/b3/3b3a/3b3a.pr.out
profile	/app/data/saxs_computation/b3/3b3a/3b3a.dat