3inj

Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1

Method: X-RAY DIFFRACTION D_max: 181.9 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Aldehyde dehydrogenase, mitochondrial

Homo sapiens

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白同源多聚体同源多聚体蛋白 × 4 PDB 声明：tetrameric（4）与蛋白拷贝数一致	链 A； UniProt 18–517 链 B； UniProt 18–517 链 C； UniProt 18–517 链 D； UniProt 18–517	未记录	NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 9 GAI GUANIDINE × 4 BXB N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide × 4	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 8MM DTT, pH 6.4, VAPOR DIFFUSION, temperature 292K	分辨率 1.69 Å R-free 0.200
2	蛋白同源多聚体同源多聚体蛋白 × 4 PDB 声明：tetrameric（4）与蛋白拷贝数一致	链 E； UniProt 18–517 链 F； UniProt 18–517 链 G； UniProt 18–517 链 H； UniProt 18–517	未记录	NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 7 GAI GUANIDINE × 5 BXB N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide × 4	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 8MM DTT, pH 6.4, VAPOR DIFFUSION, temperature 292K	分辨率 1.69 Å R-free 0.200

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 3INJ	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1CW3 HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+ 提交 1999-08-25	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE) 链 B 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE) 链 C 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE) 链 D 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE)	未记录	MN MANGANESE (II) ION × 4 MG MAGNESIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；100 MM ACES, PH 6.4, 100 MM GUANIDINE-HCL, 2 MM NAD+, 4 MM DTT, 16% PEG 6000, 8 MG/ML ENZYME SOAKED WITH 8 MM MNCL2 FOR 2 DAYS, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.58 Å R-free 0.242
1CW3 HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+ 提交 1999-08-25	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE) 链 F 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE) 链 G 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE) 链 H 24–517（494 aa）片段：COMPLETE MATURE SEQUENCE (DOES NOT INCLUDE MITOCHONDRIAL LEADER SEQUENCE)	未记录	MN MANGANESE (II) ION × 4 MG MAGNESIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；100 MM ACES, PH 6.4, 100 MM GUANIDINE-HCL, 2 MM NAD+, 4 MM DTT, 16% PEG 6000, 8 MG/ML ENZYME SOAKED WITH 8 MM MNCL2 FOR 2 DAYS, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.58 Å R-free 0.242
1NZW Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NADH and Mg2+ 提交 2003-02-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	突变：C302S 突变：C302S 突变：C302S 突变：C302S	NA SODIUM ION × 4 MG MAGNESIUM ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NADH at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.65 Å R-free 0.252
1NZW Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NADH and Mg2+ 提交 2003-02-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	突变：C302S 突变：C302S 突变：C302S 突变：C302S	NA SODIUM ION × 4 MG MAGNESIUM ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NADH at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.65 Å R-free 0.252
1NZX Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	NA SODIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked at decreasing concentrations of Mg2+ and then with NAD+ and 0 Mg2+ prior to data collection. , pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.45 Å R-free 0.245
1NZX Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	NA SODIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked at decreasing concentrations of Mg2+ and then with NAD+ and 0 Mg2+ prior to data collection. , pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.45 Å R-free 0.245
1NZZ Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of low Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	NA SODIUM ION × 4 MG MAGNESIUM ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked at increasing pH and decreasing concentrations of Mg2+ and then with NADH and 0.2 mM Mg2+ at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.45 Å R-free 0.248
1NZZ Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of low Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	NA SODIUM ION × 4 MG MAGNESIUM ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked at increasing pH and decreasing concentrations of Mg2+ and then with NADH and 0.2 mM Mg2+ at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.45 Å R-free 0.248
1O00 Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ showing dual NAD(H) conformations 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NAD+ at pH 6.4 prior to data collection., VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.60 Å R-free 0.232
1O00 Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ showing dual NAD(H) conformations 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NAD+ at pH 6.4 prior to data collection., VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.60 Å R-free 0.232
1O01 Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 GAI GUANIDINE × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 CRD (2E)-BUT-2-ENAL × 3 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT, NAD+. Crystal soaked with crotonaldehyde prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.15 Å R-free 0.206
1O01 Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 GAI GUANIDINE × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 CRD (2E)-BUT-2-ENAL × 3 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT, NAD+. Crystal soaked with crotonaldehyde prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.15 Å R-free 0.206
1O02 Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 GAI GUANIDINE × 8 EDO 1,2-ETHANEDIOL × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NADH at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.213
1O02 Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+ 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 GAI GUANIDINE × 8 EDO 1,2-ETHANEDIOL × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NADH at pH 7.0 prior to data collection., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.213
1O04 Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ 提交 2003-02-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	突变：C302S 突变：C302S 突变：C302S 突变：C302S	NA SODIUM ION × 4 MG MAGNESIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 GAI GUANIDINE × 9 EDO 1,2-ETHANEDIOL × 16	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.42 Å R-free 0.171
1O04 Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ 提交 2003-02-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	突变：C302S 突变：C302S 突变：C302S 突变：C302S	NA SODIUM ION × 4 MG MAGNESIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 GAI GUANIDINE × 9 EDO 1,2-ETHANEDIOL × 16	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.42 Å R-free 0.171
1O05 Apo form of human mitochondrial aldehyde dehydrogenase 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 B 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 C 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 D 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.25 Å R-free 0.216
1O05 Apo form of human mitochondrial aldehyde dehydrogenase 提交 2003-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 F 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 G 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence). 链 H 18–517（500 aa）片段：Complete mature sequence (does not contain mitochondrial leader sequence).	未记录	NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；ACES, PEG 6000, Guanidine HCl, MgCl2, DTT., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.25 Å R-free 0.216
1ZUM Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form 提交 2005-05-31	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：E487K 突变：E487K 突变：E487K 突变：E487K	NA SODIUM ION × 4 GAI GUANIDINE × 1 EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), magnesium chloride, Guanidine HCl, PEG 6000, DTT, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.10 Å R-free 0.238
1ZUM Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form 提交 2005-05-31	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：E487K 突变：E487K 突变：E487K 突变：E487K	NA SODIUM ION × 4 GAI GUANIDINE × 5 EDO 1,2-ETHANEDIOL × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), magnesium chloride, Guanidine HCl, PEG 6000, DTT, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.10 Å R-free 0.238
1ZUM Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form 提交 2005-05-31	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 I 18–517（500 aa）链 J 18–517（500 aa）链 K 18–517（500 aa）链 L 18–517（500 aa）	突变：E487K 突变：E487K 突变：E487K 突变：E487K	NA SODIUM ION × 4 GAI GUANIDINE × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), magnesium chloride, Guanidine HCl, PEG 6000, DTT, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.10 Å R-free 0.238
2ONM Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+ 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：E487K 突变：E487K 突变：E487K 突变：E487K	NA SODIUM ION × 6 ADP ADENOSINE-5'-DIPHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 8 GAI GUANIDINE × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.8；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 15% w/v PEG 6000, 8mM DTT, pH 6.8, VAPOR DIFFUSION, temperature 293K	分辨率 2.50 Å R-free 0.271
2ONM Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+ 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：E487K 突变：E487K 突变：E487K 突变：E487K	NA SODIUM ION × 6 ADP ADENOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 12 GAI GUANIDINE × 5 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.8；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 15% w/v PEG 6000, 8mM DTT, pH 6.8, VAPOR DIFFUSION, temperature 293K	分辨率 2.50 Å R-free 0.271
2ONM Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+ 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 I 18–517（500 aa）链 J 18–517（500 aa）链 K 18–517（500 aa）链 L 18–517（500 aa）	突变：E487K 突变：E487K 突变：E487K 突变：E487K	NA SODIUM ION × 5 ADP ADENOSINE-5'-DIPHOSPHATE × 4 EDO 1,2-ETHANEDIOL × 5 GAI GUANIDINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.8；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 15% w/v PEG 6000, 8mM DTT, pH 6.8, VAPOR DIFFUSION, temperature 293K	分辨率 2.50 Å R-free 0.271
2ONN Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：R475Q 突变：R475Q 突变：R475Q 突变：R475Q	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.6；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 16% w/v PEG 6000, 4 mM DTT, pH 6.6, vapor diffusion, temperature 293K	分辨率 2.75 Å R-free 0.268
2ONN Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：R475Q 突变：R475Q 突变：R475Q 突变：R475Q	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.6；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 16% w/v PEG 6000, 4 mM DTT, pH 6.6, vapor diffusion, temperature 293K	分辨率 2.75 Å R-free 0.268
2ONO Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：R475Q 突变：R475Q 突变：R475Q 突变：R475Q	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.6；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 5 mM MgCl2, 100 mM Guanidine HCl, 18% w/v PEG 6000, 6 mM DTT, pH 6.6, vapor diffusion, temperature 293K, pH 6.60	分辨率 2.15 Å R-free 0.314
2ONO Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：R475Q 突变：R475Q 突变：R475Q 突变：R475Q	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.6；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 5 mM MgCl2, 100 mM Guanidine HCl, 18% w/v PEG 6000, 6 mM DTT, pH 6.6, vapor diffusion, temperature 293K, pH 6.60	分辨率 2.15 Å R-free 0.314
2ONP Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+ 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：R475Q 突变：R475Q 突变：R475Q 突变：R475Q	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 EDO 1,2-ETHANEDIOL × 19 GAI GUANIDINE × 15	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.6；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 16% w/v PEG 6000, 8 mM DTT, pH 6.6, vapor diffusion, temperature 293K	分辨率 2.00 Å R-free 0.240
2ONP Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+ 提交 2007-01-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：R475Q 突变：R475Q 突变：R475Q 突变：R475Q	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 EDO 1,2-ETHANEDIOL × 20 GAI GUANIDINE × 13	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.6；293 K；100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 16% w/v PEG 6000, 8 mM DTT, pH 6.6, vapor diffusion, temperature 293K	分辨率 2.00 Å R-free 0.240
2VLE The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase 提交 2008-01-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 24–517（494 aa）片段：RESIDUES 24-517 链 B 24–517（494 aa）片段：RESIDUES 24-517 链 C 24–517（494 aa）片段：RESIDUES 24-517 链 D 24–517（494 aa）片段：RESIDUES 24-517	未记录	DZN DAIDZIN × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；100 MM MES PH 6.5, 100 MM GUANIDINE-HCL, 3 MM DITHIOTHREITOL, 5% DMSO (V/V), 10% PEG 6000 (W/V) AND 2MM DAIDZIN	分辨率 2.40 Å R-free 0.249
2VLE The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase 提交 2008-01-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 24–517（494 aa）片段：RESIDUES 24-517 链 F 24–517（494 aa）片段：RESIDUES 24-517 链 G 24–517（494 aa）片段：RESIDUES 24-517 链 H 24–517（494 aa）片段：RESIDUES 24-517	未记录	DZN DAIDZIN × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；100 MM MES PH 6.5, 100 MM GUANIDINE-HCL, 3 MM DITHIOTHREITOL, 5% DMSO (V/V), 10% PEG 6000 (W/V) AND 2MM DAIDZIN	分辨率 2.40 Å R-free 0.249
3INL Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1 提交 2009-08-12	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：E487K, C302S 突变：E487K, C302S 突变：E487K, C302S 突变：E487K, C302S	NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 15 BXB N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 8MM DTT, pH 6.4, VAPOR DIFFUSION, temperature 292K	分辨率 1.86 Å R-free 0.168
3INL Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1 提交 2009-08-12	突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：E487K, C302S 突变：E487K, C302S 突变：E487K, C302S 突变：E487K, C302S	NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 16 BXB N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 8MM DTT, pH 6.4, VAPOR DIFFUSION, temperature 292K	分辨率 1.86 Å R-free 0.168
3N80 Human mitochondrial aldehyde dehydrogenase, apo form 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Mature sequence, residues 18-517 链 B 18–517（500 aa）片段：Mature sequence, residues 18-517 链 C 18–517（500 aa）片段：Mature sequence, residues 18-517 链 D 18–517（500 aa）片段：Mature sequence, residues 18-517	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	GAI GUANIDINE × 10 EDO 1,2-ETHANEDIOL × 18 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 1.50 Å R-free 0.175
3N80 Human mitochondrial aldehyde dehydrogenase, apo form 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Mature sequence, residues 18-517 链 F 18–517（500 aa）片段：Mature sequence, residues 18-517 链 G 18–517（500 aa）片段：Mature sequence, residues 18-517 链 H 18–517（500 aa）片段：Mature sequence, residues 18-517	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	GAI GUANIDINE × 11 EDO 1,2-ETHANEDIOL × 18 NA SODIUM ION × 4 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 1.50 Å R-free 0.175
3N81 T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Mature sequence, residues 18-517 链 B 18–517（500 aa）片段：Mature sequence, residues 18-517 链 C 18–517（500 aa）片段：Mature sequence, residues 18-517 链 D 18–517（500 aa）片段：Mature sequence, residues 18-517	突变：T244A 突变：T244A 突变：T244A 突变：T244A	NA SODIUM ION × 4 GAI GUANIDINE × 10 EDO 1,2-ETHANEDIOL × 13	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 1.70 Å R-free 0.217
3N81 T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Mature sequence, residues 18-517 链 F 18–517（500 aa）片段：Mature sequence, residues 18-517 链 G 18–517（500 aa）片段：Mature sequence, residues 18-517 链 H 18–517（500 aa）片段：Mature sequence, residues 18-517	突变：T244A 突变：T244A 突变：T244A 突变：T244A	NA SODIUM ION × 4 GAI GUANIDINE × 11 EDO 1,2-ETHANEDIOL × 14	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 1.70 Å R-free 0.217
3N82 T244A mutant of Human mitochondrial aldehyde dehydrogenase, NADH complex 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Mature sequence, residues 18-517 链 B 18–517（500 aa）片段：Mature sequence, residues 18-517 链 C 18–517（500 aa）片段：Mature sequence, residues 18-517 链 D 18–517（500 aa）片段：Mature sequence, residues 18-517	突变：T244A 突变：T244A 突变：T244A 突变：T244A	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 GAI GUANIDINE × 6 EDO 1,2-ETHANEDIOL × 11 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.25 Å R-free 0.219
3N82 T244A mutant of Human mitochondrial aldehyde dehydrogenase, NADH complex 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Mature sequence, residues 18-517 链 F 18–517（500 aa）片段：Mature sequence, residues 18-517 链 G 18–517（500 aa）片段：Mature sequence, residues 18-517 链 H 18–517（500 aa）片段：Mature sequence, residues 18-517	突变：T244A 突变：T244A 突变：T244A 突变：T244A	MG MAGNESIUM ION × 4 NA SODIUM ION × 4 GAI GUANIDINE × 7 EDO 1,2-ETHANEDIOL × 13 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.25 Å R-free 0.219
3N83 T244A mutant of human mitochondrial aldehyde dehydrogenase, NAD complex 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Mature sequence, residues 18-517 链 B 18–517（500 aa）片段：Mature sequence, residues 18-517 链 C 18–517（500 aa）片段：Mature sequence, residues 18-517 链 D 18–517（500 aa）片段：Mature sequence, residues 18-517	突变：T244A 突变：T244A 突变：T244A 突变：T244A	NA SODIUM ION × 4 GAI GUANIDINE × 7 EDO 1,2-ETHANEDIOL × 11 ADP ADENOSINE-5'-DIPHOSPHATE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 1.90 Å R-free 0.232
3N83 T244A mutant of human mitochondrial aldehyde dehydrogenase, NAD complex 提交 2010-05-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Mature sequence, residues 18-517 链 F 18–517（500 aa）片段：Mature sequence, residues 18-517 链 G 18–517（500 aa）片段：Mature sequence, residues 18-517 链 H 18–517（500 aa）片段：Mature sequence, residues 18-517	突变：T244A 突变：T244A 突变：T244A 突变：T244A	NA SODIUM ION × 4 GAI GUANIDINE × 9 EDO 1,2-ETHANEDIOL × 12 ADP ADENOSINE-5'-DIPHOSPHATE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K	分辨率 1.90 Å R-free 0.232
3SZ9 Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one 提交 2011-07-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 B 18–517（500 aa）片段：Mature sequence, UNP residues 18-517	未记录	NA SODIUM ION × 2 GAI GUANIDINE × 4 EDO 1,2-ETHANEDIOL × 3 I3E 1-(4-ethylphenyl)propan-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 4MM DTT, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.10 Å R-free 0.226
3SZ9 Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one 提交 2011-07-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 D 18–517（500 aa）片段：Mature sequence, UNP residues 18-517	未记录	NA SODIUM ION × 2 GAI GUANIDINE × 5 EDO 1,2-ETHANEDIOL × 6 I3E 1-(4-ethylphenyl)propan-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 4MM DTT, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.10 Å R-free 0.226
3SZ9 Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one 提交 2011-07-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 F 18–517（500 aa）片段：Mature sequence, UNP residues 18-517	未记录	NA SODIUM ION × 2 GAI GUANIDINE × 5 EDO 1,2-ETHANEDIOL × 8 I3E 1-(4-ethylphenyl)propan-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 4MM DTT, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.10 Å R-free 0.226
3SZ9 Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one 提交 2011-07-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 G 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 H 18–517（500 aa）片段：Mature sequence, UNP residues 18-517	未记录	NA SODIUM ION × 2 GAI GUANIDINE × 4 EDO 1,2-ETHANEDIOL × 4 I3E 1-(4-ethylphenyl)propan-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 4MM DTT, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.10 Å R-free 0.226
3SZ9 Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one 提交 2011-07-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 B 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 C 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 D 18–517（500 aa）片段：Mature sequence, UNP residues 18-517	未记录	NA SODIUM ION × 4 GAI GUANIDINE × 9 EDO 1,2-ETHANEDIOL × 9 I3E 1-(4-ethylphenyl)propan-1-one × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 4MM DTT, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.10 Å R-free 0.226
3SZ9 Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one 提交 2011-07-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 F 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 G 18–517（500 aa）片段：Mature sequence, UNP residues 18-517 链 H 18–517（500 aa）片段：Mature sequence, UNP residues 18-517	未记录	NA SODIUM ION × 4 GAI GUANIDINE × 9 EDO 1,2-ETHANEDIOL × 12 I3E 1-(4-ethylphenyl)propan-1-one × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.4；292 K；100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 4MM DTT, pH 6.4, vapor diffusion, temperature 292K	分辨率 2.10 Å R-free 0.226
4FQF Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2 提交 2012-06-25	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）片段：unp residues 18-517 链 B 18–517（500 aa）片段：unp residues 18-517 链 C 18–517（500 aa）片段：unp residues 18-517 链 D 18–517（500 aa）片段：unp residues 18-517	未记录	2NO NITROGEN DIOXIDE × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 MG MAGNESIUM ION × 4 URE UREA × 6 NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；100 mM bis(2-hydroxyethyl)amino-tris(hydroxymethyl)methane (Bis-TRIS), 25% PEG 3350, 60 mM urea; 13.3 mM magnesium chloride, 8.9 mM tris(2-carboxyethyl)phosphine (TCEP), 4.4 mM NAD+, 45.8 mM glucose, crystals have been soaked with glyceryl trinitrate (GTN), pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.28 Å R-free 0.209
4FR8 Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin 提交 2012-06-26	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）链 C 18–517（500 aa）链 D 18–517（500 aa）	突变：E268Q, C301S, C303S 突变：E268Q, C301S, C303S 突变：E268Q, C301S, C303S 突变：E268Q, C301S, C303S	TNG propane-1,2,3-triyl trinitrate × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 3 MG MAGNESIUM ION × 4 URE UREA × 5 NA SODIUM ION × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；100 mM bis(2-hydroxyethyl)amino-tris(hydroxymethyl)methane (Bis-TRIS), 25% PEG 3350, 60 mM urea; 6.9 mM magnesium chloride, 4.6 mM tris(2-carboxyethyl)phosphine (TCEP), 2.3 mM NAD+, 47.6 mM glucose, crystals have been soaked with glyceryl trinitrate (GTN), pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.20 Å R-free 0.167
4FR8 Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin 提交 2012-06-26	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 18–517（500 aa）链 F 18–517（500 aa）链 G 18–517（500 aa）链 H 18–517（500 aa）	突变：E268Q, C301S, C303S 突变：E268Q, C301S, C303S 突变：E268Q, C301S, C303S 突变：E268Q, C301S, C303S	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 MG MAGNESIUM ION × 4 URE UREA × 1 NA SODIUM ION × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 3 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；100 mM bis(2-hydroxyethyl)amino-tris(hydroxymethyl)methane (Bis-TRIS), 25% PEG 3350, 60 mM urea; 6.9 mM magnesium chloride, 4.6 mM tris(2-carboxyethyl)phosphine (TCEP), 2.3 mM NAD+, 47.6 mM glucose, crystals have been soaked with glyceryl trinitrate (GTN), pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.20 Å R-free 0.167
4KWF Crystal Structure Analysis of ALDH2+ALDiB33 提交 2013-05-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 24–517（494 aa）片段：UNP residues 24-517 链 B 24–517（494 aa）片段：UNP residues 24-517 链 C 24–517（494 aa）片段：UNP residues 24-517 链 D 24–517（494 aa）片段：UNP residues 24-517	未记录	3AK 1-benzyl-1H-indole-2,3-dione × 2 NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 4 GAI GUANIDINE × 4	X-RAY DIFFRACTION X-ray结晶条件 sitting drop；pH 6.4；300 K；100 mM ACES, 100 mm guanidine-HCl, 10 mm MgCl2, and 14-19% PEG 6000, pH 6.4, sitting drop, temperature 300K	分辨率 2.31 Å R-free 0.296
4KWF Crystal Structure Analysis of ALDH2+ALDiB33 提交 2013-05-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 24–517（494 aa）片段：UNP residues 24-517 链 F 24–517（494 aa）片段：UNP residues 24-517 链 G 24–517（494 aa）片段：UNP residues 24-517 链 H 24–517（494 aa）片段：UNP residues 24-517	未记录	3AK 1-benzyl-1H-indole-2,3-dione × 2 NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 4 GAI GUANIDINE × 3	X-RAY DIFFRACTION X-ray结晶条件 sitting drop；pH 6.4；300 K；100 mM ACES, 100 mm guanidine-HCl, 10 mm MgCl2, and 14-19% PEG 6000, pH 6.4, sitting drop, temperature 300K	分辨率 2.31 Å R-free 0.296
4KWG Crystal Structure Analysis of ALDH2+ALDiB13 提交 2013-05-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 24–517（494 aa）片段：UNP residues 24-517 链 B 24–517（494 aa）片段：UNP residues 24-517 链 C 24–517（494 aa）片段：UNP residues 24-517 链 D 24–517（494 aa）片段：UNP residues 24-517	未记录	2AK 7-bromo-5-methyl-1H-indole-2,3-dione × 1 NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 4 GAI GUANIDINE × 4	X-RAY DIFFRACTION X-ray结晶条件 sitting drop；pH 6.4；300 K；100 mM ACES, 100 mm guanidine-HCl, 10 mm MgCl2, and 14-19% PEG 6000, pH 6.4, sitting drop, temperature 300K	分辨率 2.10 Å R-free 0.229
4KWG Crystal Structure Analysis of ALDH2+ALDiB13 提交 2013-05-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 24–517（494 aa）片段：UNP residues 24-517 链 F 24–517（494 aa）片段：UNP residues 24-517 链 G 24–517（494 aa）片段：UNP residues 24-517 链 H 24–517（494 aa）片段：UNP residues 24-517	未记录	2AK 7-bromo-5-methyl-1H-indole-2,3-dione × 1 NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 4 GAI GUANIDINE × 3	X-RAY DIFFRACTION X-ray结晶条件 sitting drop；pH 6.4；300 K；100 mM ACES, 100 mm guanidine-HCl, 10 mm MgCl2, and 14-19% PEG 6000, pH 6.4, sitting drop, temperature 300K	分辨率 2.10 Å R-free 0.229
5L13 Structure of ALDH2 in complex with 2P3 提交 2016-07-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–517（517 aa）链 B 1–517（517 aa）链 C 1–517（517 aa）链 D 1–517（517 aa）	未记录	NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 5 GAI GUANIDINE × 8 6ZE 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；300 K；100 mM ACES, 100 mM guanidine-HCl, 10 mM MgCl2, 4 mM dithiothreitol, 18% PEG6000	分辨率 2.40 Å R-free 0.206
5L13 Structure of ALDH2 in complex with 2P3 提交 2016-07-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 1–517（517 aa）链 F 1–517（517 aa）链 G 1–517（517 aa）链 H 1–517（517 aa）	未记录	NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 7 GAI GUANIDINE × 8 6ZE 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.4；300 K；100 mM ACES, 100 mM guanidine-HCl, 10 mM MgCl2, 4 mM dithiothreitol, 18% PEG6000	分辨率 2.40 Å R-free 0.206
8DR9 Crystal structure of human ALDH2 in complex with NAD+ and PEG MME 550 提交 2022-07-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 18–517（500 aa）链 B 18–517（500 aa）	突变：C302S 突变：C302S	CIT CITRIC ACID × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 NA SODIUM ION × 4 1PE PENTAETHYLENE GLYCOL × 18	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；protein conditions: 8 mg/ml recombinant ALDH2 in 20 mM Tris-HCl, pH 8.0, 50 mM NaCl, 1 mM DTT, supplemented with 2-4% v/v DMSO well conditions: 100 mM sodium citrate, pH 5.0-5.6, 22-26% w/v PEG MME 550 550 hanging drops were set with a 1.5:1 protein:well ratio	分辨率 1.50 Å R-free 0.157
8SHS human liver mitochondrial Aldehyde dehydrogenase ALDH2 提交 2023-04-14	构建体不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–517（517 aa）链 B 1–517（517 aa）链 C 1–517（517 aa）链 D 1–517（517 aa）	未记录	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.66 Å

共 28 个其他 PDB 条目、59 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	ALDH2_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–500； UniProt 18–517 作者链 B； PDB构建体 1–500； UniProt 18–517 作者链 C； PDB构建体 1–500； UniProt 18–517 作者链 D； PDB构建体 1–500； UniProt 18–517 作者链 E； PDB构建体 1–500； UniProt 18–517 作者链 F； PDB构建体 1–500； UniProt 18–517 作者链 G； PDB构建体 1–500； UniProt 18–517 作者链 H； PDB构建体 1–500； UniProt 18–517

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

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

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	3inj
沉积日期 deposition_date	2009-08-12
结构标题 title	Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1
关键词 keywords	oxidoreductase, ALDH, E487K, Rossmann fold, Alda-1, activator, Mitochondrion, NAD, Transit peptide; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	54.05 Å
回转半径 Rg (电子) rg_electron	54.25 Å
零角强度 I(0) i0	2662500000.00
分子量 molecular_weight	435710.0 kDa
排除体积 excluded_volume	545960 Å³
包络体积 envelope_volume	677460 Å³
水化壳体积 shell_volume	103790 Å³
包络直径 envelope_diameter	183.9 Å
壳层 Rg shell_rg	56.57 Å
包络 Rg envelope_rg	53.83 Å
形状 Rg shape_rg	54.24 Å
总 Rg total_rg	54.35 Å
总原子数 total_atoms	30669
残基数 n_residues	3953
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	181.9 Å
Rg (实空间) rg_real	54.27 Å
Rg 误差 (实空间) rg_real_error	1.62 Å
I(0) (实空间) i0_real	2.6620e+09
I(0) 误差 (实空间) i0_real_error	5.8690e+07
Rg (倒空间) rg_reciprocal	53.85 Å
I(0) (倒空间) i0_reciprocal	2661000000.0000
解质量估计 total_estimate	0.8247
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	56.5 Å
偏度 Skewness skewness	0.483
峰度 Kurtosis kurtosis	-0.391
角度范围 angular_range	— – 0.1450 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	366900000.0000
实空间数据点数 n_real_points	30
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.791; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.346

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

描述 description	Aldehyde dehydrogenase, mitochondrial
分子量 formula_weight	54499.6 kDa
EC 编号 ec_number	1.2.1.3
来源方法 src_method	man
拷贝数 entity_count	8

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	34857

SAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPSTGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLAALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPGFGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGPQVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGPVMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQSPFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	SODIUM ION
分子量 formula_weight	23.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

实体 3 Entity 3 non-polymer

描述 description	1,2-ETHANEDIOL
分子量 formula_weight	62.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	16

实体 4 Entity 4 non-polymer

描述 description	GUANIDINE
分子量 formula_weight	59.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	9

实体 5 Entity 5 non-polymer

描述 description	N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
分子量 formula_weight	324.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

实体 6 Entity 6 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	4009

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7. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d3inja_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3injb_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3injc_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3injd_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3inje_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3injf_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3injg_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

结构域编号 domain_id	d3injh_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.82 — ALDH-like
超家族 Superfamily superfamily	c.82.1 — ALDH-like
家族 Family family	c.82.1.1 — ALDH-like

CATH v4.4 (16 domains)

结构域编号 domain_id	3injA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injF02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injG01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injG02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

结构域编号 domain_id	3injH01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	605 — Aldehyde Dehydrogenase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 1

结构域编号 domain_id	3injH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	309 — Aldehyde Dehydrogenase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde Dehydrogenase; Chain A, domain 2

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8. 引用文献 (2)

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晶胞边长 a length_a	101.916 Å
晶胞边长 b length_b	176.839 Å
晶胞边长 c length_c	102.464 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	94.52 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	1.688 Å
最低分辨率 resolution_low	46.357 Å
R 因子 r_factor	0.1800
R_work r_work	0.1790
R_free r_free	0.2000

fit	/app/data/saxs_computation/in/3inj/3inj.fit
pddf	/app/data/pr_computation/in/3inj/3inj.pr.out
profile	/app/data/saxs_computation/in/3inj/3inj.dat