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5kj1

G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol

Method: X-RAY DIFFRACTION Dmax: 104.1 Å Quality: GOOD
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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Alcohol dehydrogenase E chain

Equus caballus

UniProt P00327

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 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 链 A； UniProt 2–375 链 B； UniProt 2–375 突变：G173A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION X-ray结晶条件：MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL 分辨率 1.20 Å R-free 0.170

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 5KJ1 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
1A71 TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL 提交 1998-03-19 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
突变：F93W, V203A 突变：F93W, V203A ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.4；4MICROLITER HANGING DROPS TRIS PH 8.4 AT 4C, 5MM TRIFLUROETHANOL, 4% PEG400 EQUILIBRATED AGAINST WELLS CONTAINING 5MM TFE AND 18%PEG 400, vapor diffusion - hanging drop
分辨率 2.00 Å R-free 0.288
1A72 AN ACTIVE-SITE DOUBLE MUTANT (PHE93->TRP, VAL203->ALA) OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH THE ISOSTERIC NAD ANALOG CPAD 提交 1998-03-19 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
突变：F93W, V203A ZN ZINC ION × 4 PAD 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；CRYSTALS GROWN FROM 4 MICROLITER HANGING DROPS OF 10MG/ML PROTEIN IN 50 MM TRIS BUFFER (PH8.4 @4C) 4% (V/V) ETOH EQUILIBRATED AT 4C WITH WELLS CONTAINING 11-13% ETOH, vapor diffusion - hanging drop, temperature 277K
分辨率 2.60 Å R-free 0.300
1ADB CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES 提交 1993-12-13 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 CND 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE × 2 EOH ETHANOL × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.40 Å
1ADC CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES 提交 1993-12-13 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 PAD 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE × 2 EOH ETHANOL × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.70 Å
1ADF CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN 提交 1993-10-18 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
未记录 ZN ZINC ION × 4 TAD BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.90 Å
1ADG CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN 提交 1993-10-18 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
未记录 ZN ZINC ION × 4 SAD BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.70 Å
1AXE CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL 提交 1997-10-15 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
突变：F93W 突变：F93W ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；CRYSTALS WERE GROWN FROM HANGING DROPS. THE INITIAL DROP CONTAINING 16MG/ML PROTEIN, A 10X EXCESS OF NAD, 5MM TRIFLUOROETHANOL AND 5% V/V OF PEG400 IN 50MM TRIS-HCL PH 8.4 WERE EQUILIBRATED AT 4 DEGREES C OVER WELLS OF SIMILAR COMPOSITION CONTAINING 15-17% PEG400., vapor diffusion - hanging drop, temperature 277K
分辨率 2.00 Å R-free 0.269
1AXG CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION 提交 1997-10-15 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
突变：V203A 突变：V203A ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 8.4；pH 8.4
分辨率 2.50 Å R-free 0.294
1AXG CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION 提交 1997-10-15 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 × 2 PDB 声明：dimeric
链 C 1–374（374 aa）
链 D 1–374（374 aa）
突变：V203A 突变：V203A ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 8.4；pH 8.4
分辨率 2.50 Å R-free 0.294
1BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE 提交 1996-11-08 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 D 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；THE PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE., batch dialysis
分辨率 2.00 Å R-free 0.230
1BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE 提交 1996-11-08 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 × 2 PDB 声明：dimeric
链 B 1–374（374 aa）
链 C 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；THE PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE., batch dialysis
分辨率 2.00 Å R-free 0.230
1HET atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH 提交 2000-11-25 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 pH 8.2；pH 8.20
分辨率 1.15 Å R-free 0.135
1HEU ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH 提交 2000-11-26 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 CD CADMIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 8.2；pH 8.20
分辨率 1.15 Å R-free 0.149
1HF3 ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH 提交 2000-11-27 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 CD CADMIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 8.2；pH 8.20
分辨率 1.95 Å R-free 0.214
1HLD STRUCTURES OF HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH NAD+ AND SUBSTITUTED BENZYL ALCOHOLS 提交 1993-11-23 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 BRB PARA-BROMOBENZYL ALCOHOL × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.10 Å
1JU9 HORSE LIVER ALCOHOL DEHYDROGENASE VAL292SER MUTANT 提交 2001-08-24 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
突变：V292S 突变：V292S ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
分辨率 2.00 Å R-free 0.232
1LDE HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND N-FORMYL PIPERDINE 提交 1996-12-25 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 × 2 PDB 声明：dimeric
链 B 1–374（374 aa）
链 C 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 FPI N-FORMYLPIPERIDINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE. VERY CLOSE TO C-CENTERED ORTHORHOMBIC BUT SCALES VERY BADLY AS C222. SO THE SYMMETRY IS ACTUALLY P21., batch dialysis
分辨率 2.50 Å R-free 0.256
1LDE HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND N-FORMYL PIPERDINE 提交 1996-12-25 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 D 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 FPI N-FORMYLPIPERIDINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE. VERY CLOSE TO C-CENTERED ORTHORHOMBIC BUT SCALES VERY BADLY AS C222. SO THE SYMMETRY IS ACTUALLY P21., batch dialysis
分辨率 2.50 Å R-free 0.256
1LDY HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND CYCLOHEXYL FORMAMIDE (CXF) 提交 1996-12-23 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 D 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE. VERY CLOSE TO C-CENTERED ORTHORHOMBIC BUT SCALES VERY BADLY AS C222. SO THE SYMMETRY IS ACTUALLY P21, batch dialysis
分辨率 2.50 Å
1LDY HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND CYCLOHEXYL FORMAMIDE (CXF) 提交 1996-12-23 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 × 2 PDB 声明：dimeric
链 B 1–374（374 aa）
链 C 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE. VERY CLOSE TO C-CENTERED ORTHORHOMBIC BUT SCALES VERY BADLY AS C222. SO THE SYMMETRY IS ACTUALLY P21, batch dialysis
分辨率 2.50 Å
1MG0 Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol 提交 2002-08-14 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DFB 2,3-DIFLUOROBENZYL ALCOHOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
分辨率 1.80 Å R-free 0.214
1MG0 Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol 提交 2002-08-14 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 × 2 PDB 声明：dimeric
链 C 1–374（374 aa）
链 D 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DFB 2,3-DIFLUOROBENZYL ALCOHOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
分辨率 1.80 Å R-free 0.214
1MGO Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant 提交 2002-08-15 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
突变：F93A 突变：F93A ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
分辨率 1.20 Å R-free 0.209
1N8K Horse Liver Alcohol Dehydrogenase Val292Thr Mutant Complexed to NAD+ and Pyrazole 提交 2002-11-21 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
突变：V292T 突变：V292T ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PZO PYRAZOLE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 7；277 K；MPD, pH 7.0, dialysis, temperature 277K, pH 7.00
分辨率 1.13 Å R-free 0.167
1N92 Horse Liver Alcohol Dehydrogenase Complexed with NAD+ and 4-Iodopyrazole 提交 2002-11-21 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PYZ 4-IODOPYRAZOLE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
分辨率 1.47 Å R-free 0.183
1P1R Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide 提交 2003-04-13 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 NMH (R)-N-(1-METHYL-HEXYL)-FORMAMIDE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 7；277 K；MPD, 50 mM ammonium tris-[(hydroxymethyl)methyl]-2-aminosulfonate buffer, 0.25 mM EDTA, pH 7.0, dialysis, temperature 277K
分辨率 1.57 Å R-free 0.200
1P1R Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide 提交 2003-04-13 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 × 2 PDB 声明：dimeric
链 C 1–374（374 aa）
链 D 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 NMH (R)-N-(1-METHYL-HEXYL)-FORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7；277 K；MPD, 50 mM ammonium tris-[(hydroxymethyl)methyl]-2-aminosulfonate buffer, 0.25 mM EDTA, pH 7.0, dialysis, temperature 277K
分辨率 1.57 Å R-free 0.200
1QLH HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NAD DOUBLE MUTANT OF GLY 293 ALA AND PRO 295 THR 提交 1999-08-31 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
突变：YES ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM
分辨率 2.07 Å R-free 0.254
1QLJ HORSE LIVER ALCOHOL DEHYDROGENASE APO ENZYME DOUBLE MUTANT OF GLY 293 ALA AND PRO 295 THR 提交 1999-09-01 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–374（374 aa）
突变：YES ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM
分辨率 2.80 Å R-free 0.257
1QV6 HORSE LIVER ALCOHOL DEHYDROGENASE HIS51GLN/LYS228ARG MUTANT COMPLEXED WITH NAD+ AND 2,4-DIFLUOROBENZYL ALCOHOL 提交 2003-08-26 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa） 片段：Recombinant without the wild-type N-acetyl group
链 B 1–374（374 aa） 片段：Recombinant without the wild-type N-acetyl group
突变：H51Q and K228R 突变：H51Q and K228R ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 24B (2,4-DIFLUOROPHENYL)METHANOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 dialysis；pH 7；278 K；50 mM ammonium N-[tris(hydroxymethyl)methyl)]-2-aminoethanesulfonate buffer, 1 mM NAD+, 10 mM 2,4-difluorobenzyl alcohol, 2-methyl-2,4-pentanediol, pH 7.0, dialysis, temperature 278K
分辨率 1.80 Å R-free 0.203
1QV7 HORSE LIVER ALCOHOL DEHYDROGENASE HIS51GLN/LYS228ARG MUTANT COMPLEXED WITH NAD+ AND 2,3-DIFLUOROBENZYL ALCOHOL 提交 2003-08-27 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa） 片段：Recombinant enzyme without the N-acetyl group found in natural enzyme
链 B 1–374（374 aa） 片段：Recombinant enzyme without the N-acetyl group found in natural enzyme
突变：H51Q and K228R 突变：H51Q and K228R ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DFB 2,3-DIFLUOROBENZYL ALCOHOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 dialysis；pH 7；278 K；50 mM ammonium N-[tris(hydroxymethyl)methyl)]-2-aminoethanesulfonate buffer, 1 mM NAD+, 10 mM 2,3-difluorobenzyl alcohol, 2-methyl-2,4-pentanediol, pH 7.0, dialysis, temperature 278K
分辨率 1.80 Å R-free 0.222
1YE3 HORSE LIVER ALCOHOL DEHYDROGENASE APOENZYME 提交 2004-12-27 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
未记录 ZN ZINC ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 8.4；278 K；50 mM Tris-HCl, 25% methylpentanediol, pH 8.4, MICRODIALYSIS, temperature 278K
分辨率 1.59 Å R-free 0.256
2JHF Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase 提交 2007-02-22 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 CD CADMIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 DIALYSIS 30 MM TRIS/HCL PH 8.2 25 % MPD
分辨率 1.00 Å R-free 0.152
2JHG Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase 提交 2007-02-22 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 IBO 2-METHYLPROPANAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 DIALYSIS 30 MM TRIS/HCL PH 8.2 25 % MPD
分辨率 1.20 Å R-free 0.142
2OHX REFINED CRYSTAL STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE-NADH COMPLEX AT 1.8 ANGSTROMS RESOLUTION 提交 1993-08-24 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.80 Å
2OXI REFINED CRYSTAL STRUCTURE OF CU-SUBSTITUTED ALCOHOL DEHYDROGENASE AT 2.1 ANGSTROMS RESOLUTION 提交 1993-11-08 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 CU COPPER (II) ION × 2 ZN ZINC ION × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.10 Å
3BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3S)3-BUTYLTHIOLANE 1-OXIDE 提交 1996-11-08 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 D 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE., batch dialysis
分辨率 1.66 Å R-free 0.223
3BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3S)3-BUTYLTHIOLANE 1-OXIDE 提交 1996-11-08 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 × 2 PDB 声明：dimeric
链 B 1–374（374 aa）
链 C 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 batch dialysis；pH 7；PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE., batch dialysis
分辨率 1.66 Å R-free 0.223
3OQ6 Horse liver alcohol dehydrogenase A317C mutant complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol 提交 2010-09-02 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：A317C 突变：A317C ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；298 K；50 mM ammonium TES [N-tris(hydroxymethyl)-2-aminoethane sulfonate], 25% MRD, 11 mg/ml protein, 11 mM NAD+, 5 mM 2,3,4,5,6-pentafluorobenzyl alcohol, pH 7.0, MICRODIALYSIS, temperature 298K
分辨率 1.20 Å R-free 0.162
4DWV Horse alcohol dehydrogenase complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol 提交 2012-02-26 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 6.7；278 K；50 mm ammonium n-[tris(hydroxymethyl) methyl]-2-aminoethane sulfonate, ph 6.7 (at 25 c), 0.25 mm edta, 10 mg/ml protein, 1 mm nad+, 10 mm 2,3,4,5,6-pentafluorobenzyl alcohol, 12 to 25 % 2-methyl-2,4-pentanediol, MICRODIALYSIS, temperature 278k
分辨率 1.14 Å R-free 0.144
4DXH Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol 提交 2012-02-27 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 6.7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL, TEMPERATURE 278K, MICRODIALYSIS
分辨率 1.12 Å R-free 0.147
4NFH V207A Horse Liver Alcohol Dehydrogenase E complexed with NAD and 2,3,4,5,6-pentafluorobenzyl alcohol 提交 2013-10-31 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：V207A 突变：V207A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 mM ammonium n-[tris(hydroxymethyl) methyl]-2-aminoethane sulfonate, pH 6.7 (at 25 C), 0.25 mM EDTA, 10 mg/ml protein, 1 mM NAD+, 10 mM 2,3,4,5,6-pentafluorobenzyl alcohol, 12 TO 25 % 2-methyl-2,4-pentanediol, MICRODIALYSIS, temperature 278K
分辨率 1.20 Å R-free 0.166
4NFS V203A horse liver alcohol dehydrogenase E complexed with NAD and 2,2,2-trifluoroethanol 提交 2013-10-31 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：V203A 突变：V203A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 mN ammonium N-[tris(hydroxymethyl)methyl]-2-amminoethanesulfonate and 0.5 mM EDTA, pH 6.7 (at 25 deg C), 10 mg/ml protein, 1 mM NAD+, 100 mM 2,2,2-trifluoroethanol, 13-25 % 2-methyl-2,4-methylpentanediol, MICRODIALYSIS, temperature 278K
分辨率 1.10 Å R-free 0.175
4NG5 V203A horse liver alcohol dehydrogenase E complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol 提交 2013-11-01 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：V203A 突变：V203A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 mM ammonium N-[tris(hydrozymethyl)methyl]-2-aminoethanesulfonate and 0.5 mM EDTA, pH 6.7 (at 25 deg C), 10 mg/ml protein, 1 mM NAD+, 10 mM 2,3,4,5,6-pentafluorobenzyl alcohol, 13-25 % 2-methyl-2,4-pentanediol, MICRODIALYSIS, temperature 278K
分辨率 1.10 Å R-free 0.137
4XD2 Horse liver alcohol dehydrogenase-NADH complex 提交 2014-12-18 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL, MICRODIALYSIS, TEMPERATURE 278K
分辨率 1.10 Å R-free 0.198
5ADH INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE 提交 1984-01-16 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
未记录 ZN ZINC ION × 4 APR ADENOSINE-5-DIPHOSPHORIBOSE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.90 Å
5CDG I220F horse liver alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol 提交 2015-07-03 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：I220F 突变：I220F ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate, 0.25 mM EDTA, pH 6.7 (at 25 C), 1.0 mM NAD+, 10 mM 2,3,4,5,6-pentafluorbenzyl alcohol, 16 to 25 % 2-methyl-2,4-pentanediol, 10 mg/ml protein in dialysis bag.
分辨率 1.40 Å R-free 0.187
5CDS I220L horse liver alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol 提交 2015-07-04 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：I220L 突变：I220L ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-,4-PENTANEDIOL
分辨率 1.40 Å R-free 0.184
5CDT I220V horse liver alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol 提交 2015-07-04 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：I220V 突变：I220V ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA,10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.70 Å R-free 0.206
5CDU I220V horse liver alcohol dehydrogenase complexed with NAD and pyrazole 提交 2015-07-04 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：I220V 突变：I220V ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PZO PYRAZOLE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；298 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10) MM PYRAZOLE, 16 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.60 Å R-free 0.201
5KCP horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol 提交 2016-06-06 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：S48T 突变：S48T ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 mM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 mM EDTA, 10 mg/mL PROTEIN, 1 mM NAD+, 100 mM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.138
5KCZ horse liver S48T alcohol dehydrogenase complexed with NAD and trifluoroethanol 提交 2016-06-07 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：S48T 突变：S48T ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminomethane sulfonate, pH 7.0 (pH 6.7 at 25 C), 0.25 mM EDTA, 10 mg/ml protein, 1 mM NAD+, 100 mM trifluoroethanol, 12-25 % 2-methyl-2,4-pentanediol
分辨率 1.14 Å R-free 0.148
5KJ6 V197I Horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol 提交 2016-06-17 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：V197I 突变：V197I ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 19 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.14 Å R-free 0.164
5KJC V222I horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol 提交 2016-06-18 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：V222I 突变：V222I ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 5 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 35 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.168
5KJE F322L horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol 提交 2016-06-18 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：F322L 突变：F322L ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.26 Å R-free 0.144
5KJF V222I horse liver alcohol dehydrogenase complexed with NAD+ and trifluoroethanol 提交 2016-06-18 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 5 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.153
5VJ5 Horse Liver Alcohol Dehydrogenase Complexed with 1,10-Phenanthroline 提交 2017-04-18 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 PHN 1,10-PHENANTHROLINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 8.4；278 K；50 mM Tris-HCl, pH 8.4, 10 mg protein/ml in dialysis bag, dialyzed against 2-methyl-2,4-pentanediol, raised slowly to 25 %. Crystals soaked with 5 mM 1,10-phenanthroline for 2 hr at 278K, and flash vitrified in liquid N2.
分辨率 1.90 Å R-free 0.295
5VJG horse liver alcohol dehydrogenase complexed with 2,2'bipyridine 提交 2017-04-19 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
未记录 ZN ZINC ION × 4 0BP 2,2'-bipyridine × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 8.4；278 K；Dialysis of 10 mg protein/ml against 50 mM Tris-HCl, pH 8.4, as the concentration of 2-methyl-2,4-pentanediol concentration was raised to 25 %. Crysta was soaked for 3 hr iwth 30 mM 2,2'-bipyridine before flash vitrification with liquid N2.l
分辨率 1.90 Å R-free 0.284
5VKR Horse liver alcohol dehydrogenase complexed with adenosine-5-diphosphoribose 提交 2017-04-22 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
未记录 ZN ZINC ION × 4 APR ADENOSINE-5-DIPHOSPHORIBOSE × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 8.4；278 K；10 mg/ml protein in dialysis bag dialyzed against 50 mM Tris-HCl, pH 8.4 as the concentration of 2-methyl-2,4-pentanediol was raised to 25 %. A crystal was soaked with 2 mM adenosine-5-diphosphoribose in the final outer dialysate for 1 hr. Crystal flash vitrified by plunging it into liquid N2.
分辨率 1.80 Å R-free 0.248
5VL0 horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide 提交 2017-04-24 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 BNF N-BENZYLFORMAMIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml enzyme dialyzed against 50 mM ammonium N-[tris(hydroxylmethyl)methyl]2-aminoethane sulfonate (pH 6.7 at 25 deg C) with 1 mM NADH and 10 mM N-benzylformamide as the concentration of 2-methyl-2,4-pentanediol was raised to 25 %. Crystas was mounted on a fiber loop and flash vitrified by plunging it into liquid N2.
分辨率 1.20 Å R-free 0.199
5VL0 horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide 提交 2017-04-24 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 × 2 PDB 声明：dimeric
链 C 2–375（374 aa）
链 D 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 BNF N-BENZYLFORMAMIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml enzyme dialyzed against 50 mM ammonium N-[tris(hydroxylmethyl)methyl]2-aminoethane sulfonate (pH 6.7 at 25 deg C) with 1 mM NADH and 10 mM N-benzylformamide as the concentration of 2-methyl-2,4-pentanediol was raised to 25 %. Crystas was mounted on a fiber loop and flash vitrified by plunging it into liquid N2.
分辨率 1.20 Å R-free 0.199
5VN1 horse liver alcohol dehydrogenae complexed with NADH (R,S)-N-1-methylhexylformamide 提交 2017-04-28 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 NWH N-[(2S)-heptan-2-yl]formamide × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg protein/ml dialyzed against 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate buffer, pH 7 (pH 6.7 at 25 deg C) with 1 mM NADH and 10 mM (racemic) (R,S)-N-1-methylhexylformamide as the concentration of 2-methyl-2,4-pentanediol was raised to 25%. Crystal on loop plunged into liquid N2.
分辨率 1.25 Å R-free 0.187
5VN1 horse liver alcohol dehydrogenae complexed with NADH (R,S)-N-1-methylhexylformamide 提交 2017-04-28 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 × 2 PDB 声明：dimeric
链 C 2–375（374 aa）
链 D 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 NWH N-[(2S)-heptan-2-yl]formamide × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 NMH (R)-N-(1-METHYL-HEXYL)-FORMAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg protein/ml dialyzed against 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate buffer, pH 7 (pH 6.7 at 25 deg C) with 1 mM NADH and 10 mM (racemic) (R,S)-N-1-methylhexylformamide as the concentration of 2-methyl-2,4-pentanediol was raised to 25%. Crystal on loop plunged into liquid N2.
分辨率 1.25 Å R-free 0.187
6ADH STRUCTURE OF TRICLINIC TERNARY COMPLEX OF HORSE LIVER ALCOHOL DEHYDROGENASE AT 2.9 ANGSTROMS RESOLUTION 提交 1984-01-16 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
链 B 1–374（374 aa）
未记录 ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.90 Å
6CXX Horse liver E267H alcohol dehydrogenase complex with 3'-dephosphocoenzyme A 提交 2018-04-04 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：E267H 突变：E267H ZN ZINC ION × 4 COD DEPHOSPHO COENZYME A × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 5 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 8.4；278 K；10 mg/ml protein dialyzed against 50 mM tris(hydroxymethyl)aminomethane-HCl, 0.25 mM EDTA, with methylpentanediol increasing to 25 %.
分辨率 1.26 Å R-free 0.208
6CY3 Horse liver E267N alcohol dehydrogenase complex with 3'-dephosphocoenzyme A 提交 2018-04-04 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
突变：E267N ZN ZINC ION × 4 COD DEPHOSPHO COENZYME A × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 8.4；278 K；10 mtg/ml enzyme dialyzed against 50 mM tris(hydroxymethyl)aminomethane-HCl, 0.25 mM EDTA, containing 2-methy-2,4-pentanediol increasing to 25 %.
分辨率 2.30 Å R-free 0.310
6NBB Horse liver alcohol dehydrogenase determined using single-particle cryo-EM at 200 keV 提交 2018-12-06 突变/修饰不同 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ZN ZINC ION × 4 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8.5
cryo-EM玻璃化条件 冷冻剂 ETHANE；Sample was manually blotted for 4-5 seconds using Whatman No. 1 filter paper immediately prior to plunge-freezing.
分辨率 2.90 Å
6O91 Horse liver L57F alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol 提交 2019-03-12 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：L57F 突变：L57F ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 5 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.132
6OA7 Horse liver L57F alcohol dehydrogenase E complexed with NAD and trifluoroethanol 提交 2019-03-15 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：L57F 突变：L57F ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 5 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-trifluoroethanol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL, PH 7.0
分辨率 1.10 Å R-free 0.131
6OWM Horse liver F93W alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol 提交 2019-05-10 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93W 突变：F93W ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；298 K；10 mg/ml protein, 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethane sulfonate, 0.25 mM EDTA, pH 6.7 at 25 deg C, 1 mM NAD+, 10 mM 2,3,4,5,6-pentafluorobenzyl alcohol, 14 to 25 % 2-methyl-2,4-pentanediol
分辨率 1.10 Å R-free 0.141
6OWP Horse liver F93W alcohol dehydrogenase complexed with NAD and trifluoroethanol 提交 2019-05-10 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93W 突变：F93W ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；298 K；50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanne sulfonate, pH 6.7 (at 25 deg C), 0,25 mM EDTA, 10 mg/ml protein, 1 mM NAD+, 100 mM 2,2,2-trifluoroethanol, 12-15 % 2-methyl-2,4-pentanediol
分辨率 1.14 Å R-free 0.142
6XT2 EQADH-NADH-HEPTAFLUOROBUTANOL, P21 提交 2020-07-16 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 B7F 2,2,3,3,4,4,4-heptafluorobutan-1-ol × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml protein, 1 mM NAD+, 4 mM 1H,1H-heptafluorobutanol, 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethananesulfonate, 10-25% 2-methyl-2,4-pentanediol
分辨率 1.55 Å R-free 0.192
6XT2 EQADH-NADH-HEPTAFLUOROBUTANOL, P21 提交 2020-07-16 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 × 2 PDB 声明：dimeric
链 C 2–375（374 aa）
链 D 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 B7F 2,2,3,3,4,4,4-heptafluorobutan-1-ol × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml protein, 1 mM NAD+, 4 mM 1H,1H-heptafluorobutanol, 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethananesulfonate, 10-25% 2-methyl-2,4-pentanediol
分辨率 1.55 Å R-free 0.192
7ADH THREE-DIMENSIONAL STRUCTURE OF ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE 提交 1984-01-16 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–374（374 aa）
未记录 ZN ZINC ION × 2 NTN ISONICOTINAMIDINE × 23 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 3.20 Å
7JQA EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21 提交 2020-08-10 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 BRB PARA-BROMOBENZYL ALCOHOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM-N-[TRIS(HYDROXYMETHYL) - METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 4-bromobenzyl alcohol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.53 Å R-free 0.221
7JQA EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21 提交 2020-08-10 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 × 2 PDB 声明：dimeric
链 C 2–375（374 aa）
链 D 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 BRB PARA-BROMOBENZYL ALCOHOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM-N-[TRIS(HYDROXYMETHYL) - METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 4-bromobenzyl alcohol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.53 Å R-free 0.221
7K35 EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21 提交 2020-09-10 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 VTG (4-methylphenyl)methanol × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 MG/ML ENZYME DIALYZED AGAINST 50 MM AMMONIUM N-[TRIS(HYDROXYLMETHYL)METHYL]2-AMINOETHANE SULFONATE (PH 6.7 AT 25 DEG C) WITH 1 MM NAD+ AND 10 MM 4-METHY-BENZYL ALCOHOL AS THE CONCENTRATION OF 2-METHYL-2,4-PENTANEDIOL WAS RAISED TO 25 %. CRYSTAL WAS MOUNTED ON A FIBER LOOP AND FLASH VITRIFIED BY PLUNGING IT INTO LIQUID N2.
分辨率 1.20 Å R-free 0.210
7K35 EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21 提交 2020-09-10 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 × 2 PDB 声明：dimeric
链 C 2–375（374 aa）
链 D 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 VTG (4-methylphenyl)methanol × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 MG/ML ENZYME DIALYZED AGAINST 50 MM AMMONIUM N-[TRIS(HYDROXYLMETHYL)METHYL]2-AMINOETHANE SULFONATE (PH 6.7 AT 25 DEG C) WITH 1 MM NAD+ AND 10 MM 4-METHY-BENZYL ALCOHOL AS THE CONCENTRATION OF 2-METHYL-2,4-PENTANEDIOL WAS RAISED TO 25 %. CRYSTAL WAS MOUNTED ON A FIBER LOOP AND FLASH VITRIFIED BY PLUNGING IT INTO LIQUID N2.
分辨率 1.20 Å R-free 0.210
7RM6 Horse liver alcohol dehydrogenase in complex with NADH and N-cylcohexyl formamide 提交 2021-07-26 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；50 mM Tris-HCl buffer at pH 8.2, 18% (v/v) PEG400
分辨率 1.43 Å R-free 0.208
7U9N S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-03-11 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 C 2–375（374 aa）
突变：S48A 突变：S48A ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, and 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 2.20 Å R-free 0.259
7U9N S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-03-11 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 × 2 PDB 声明：dimeric
链 B 2–375（374 aa）
链 D 2–375（374 aa）
突变：S48A 突变：S48A ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, and 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 2.20 Å R-free 0.259
7UA6 Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K 提交 2022-03-11 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL,
分辨率 1.10 Å R-free 0.140
7UC9 Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K 提交 2022-03-16 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.152
7UCA Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K 提交 2022-03-16 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.146
7UCU Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K 提交 2022-03-17 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.142
7UDD Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol at 150 K 提交 2022-03-18 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.160
7UDE Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K 提交 2022-03-18 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.10 Å R-free 0.160
7UDR Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 25 K 提交 2022-03-20 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.159
7UEC Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K 提交 2022-03-21 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.161
7UEE Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K 提交 2022-03-21 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.144
7UEF Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K 提交 2022-03-21 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.147
7UEI Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16 提交 2022-03-21 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.150
7UEJ horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 150 K 提交 2022-03-21 突变/修饰不同 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 2–375（374 aa）
链 B 2–375（374 aa）
未记录 ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.20 Å R-free 0.153
7UHV Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 50 K 提交 2022-03-27 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：G173A 突变：G173A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5.6-pentafluorobenzyl alcohol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.30 Å R-free 0.167
7UHW Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 120 K 提交 2022-03-27 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：G173A 突变：G173A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5.6-pentafluorobenzyl alcohol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.30 Å R-free 0.165
7UHX Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K 提交 2022-03-27 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 2–375（374 aa）
链 B 2–375（374 aa）
突变：G173A 突变：G173A ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10 MM 2,3,4,5.6-pentafluorobenzyl alcohol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL
分辨率 1.30 Å R-free 0.166
7UQ9 S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-04-19 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：S48T 突变：S48T ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.40 Å R-free 0.183
7UTW Cd-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-04-27 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 CD CADMIUM ION × 2 ZN ZINC ION × 2 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.33 Å R-free 0.165
8ADH INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE 提交 1989-04-20 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 × 2 PDB 声明：dimeric
链 A 1–374（374 aa）
未记录 ZN ZINC ION × 4 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.40 Å
8E7U F93A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-08-24 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93A 突变：F93A ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.19 Å R-free 0.158
8ECS F93G Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-02 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93G 突变：F93G ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.20 Å R-free 0.162
8ECT F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-02 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93A L57A 突变：F93A L57A ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.60 Å R-free 0.192
8ECU F93S Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-02 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93S 突变：F93S ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.30 Å R-free 0.164
8EE3 F93Y Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-06 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93Y 突变：F93Y ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
分辨率 1.55 Å R-free 0.183
8EIW Cobalt(II)-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-15 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
未记录 CO COBALT (II) ION × 2 ZN ZINC ION × 2 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；tert-butanol (12%-20%), 2mM NADH, 3.3mM N-cyclohexylformamide, 1mM cobalt(II) acetate in 50mM Tris buffer at pH 8.20
分辨率 1.65 Å R-free 0.204
8EIX Cobalt(II)-substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-15 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：S48A 突变：S48A CO COBALT (II) ION × 2 ZN ZINC ION × 2 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；tert-butanol(12%-20%), 2mM NADH, 3.3mM N-cyclohexylformamide, 1mM cobalt(II) acetate in 50mM Tris buffer at pH 8.20
分辨率 2.46 Å R-free 0.244
8EIY Cobalt(II)-substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 提交 2022-09-15 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：S48T 突变：S48T CO COBALT (II) ION × 2 ZN ZINC ION × 2 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；tert-butanol(12%-20%), 2mM NADH, 3.3mM N-cyclohexylformamide, 1mM Co(II) acetate in 50mM Tris buffer at pH 8.20
分辨率 2.55 Å R-free 0.263
8G2L Horse liver alcohol dehydrogense His-51 Gln form complexed with NAD+ and 2,2,2-trifluoroethanol 提交 2023-02-05 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：H51Q 突变：H51Q ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 ETF TRIFLUOROETHANOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7；278 K；10 mg/ml protein, 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminiomethanesulfonate and 0.25 mM EDTA, 2 mM NAD+, 0.1 mM 2,2,2-trifluoroetanol, 13% MPD, crystals soaked with 25% MPD, and 100 mM trifluoroethanol
分辨率 1.42 Å R-free 0.211
8G2S Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and capric acid 提交 2023-02-06 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：H51Q 突变：H51Q ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 DKA DECANOIC ACID × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7；278 K；10 mg/ml protein in 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfate buffer with 0.25 mM EDTA, 2 mM NAD+ and 1 mM sodium caprate, 13 % 2-methyl-2,4-pentanediol, raised to 25% MPD, then crystals soaked with 1 mM acetaldehyde at 278 K for 70 min and then with 100 mM sodium caprate for 2 h before pliunging into liquid N2.
分辨率 1.45 Å R-free 0.189
8G2X Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and pyrazole 提交 2023-02-06 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：H51Q 突变：H51Q ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PZO PYRAZOLE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7；278 K；10 mg/ml protein in 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfate buffer with 0.25 mM EDTA, 2 mM NAD+ and 15 mM pyrazole, 13 % 2-methyl-2,4-pentanediol, raised to 25% MPD before pliunging into liquid N2.
分辨率 1.47 Å R-free 0.191
8G39 Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH and N-cyclohexylformamide 提交 2023-02-07 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：H51Q 突变：H51Q ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml protein in 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfate buffer with 0.25 mM EDTA, 1 mM NADH and 15 mM N-cyclohexylformamide, 13 % 2-methyl-2,4-pentanediol,raised to 25% MPD before crystal pliunged into liquid N2.
分辨率 1.42 Å R-free 0.191
8G41 Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH 提交 2023-02-08 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：H51Q 突变：H51Q ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml protein in 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfate buffer with 0.25 mM EDTA, 2 mM NAD+ and 0.1 mM 2,2,2-trifluoroetanol, crystals formed at 13 % 2-methyl-2,4-pentanediol, raised to 25% MPD before crystal pliunged into liquid N2.
分辨率 1.50 Å R-free 0.177
8G4V Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol 提交 2023-02-10 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：H51Q 突变：H51Q ZN ZINC ION × 4 NAJ NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) × 2 PFB 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 MICRODIALYSIS；pH 7；278 K；10 mg/ml protein in 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfate buffer with 0.25 mM EDTA, 2 mM NAD+ and 15 mM 2,3,4,5,6-pentafluorobenzyl alcohol, crystals formed at ~13 % 2-methyl-2,4-pentanediol, raised to 25% MPD before crystal pliunged into liquid N2.
分辨率 1.20 Å R-free 0.161
9CM6 Horse liver alcohol dehydrogenase V203L in complex with NADH and N-cylcohexyl formamide 提交 2024-07-12 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：V203L 突变：V203L ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG 400, Tris Buffer
分辨率 1.47 Å R-free 0.188
9CMQ Horse liver alcohol dehydrogenase V203A in complex with NADH and N-cylcohexyl formamide 提交 2024-07-15 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：V203A 突变：V203A ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG 400, Tris Buffer
分辨率 1.49 Å R-free 0.183
9CQK Horse liver alcohol dehydrogenase F93W in complex with NADH and N-cylcohexyl formamide 提交 2024-07-19 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：F93W 突变：F93W ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG 400, Tris Buffer
分辨率 1.65 Å R-free 0.209
9NKK Horse liver alcohol dehydrogenase T178A in complex with NADH and N-cylcohexyl formamide 提交 2025-02-28 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 × 2 PDB 声明：dimeric
链 A 2–375（374 aa）
链 B 2–375（374 aa）
突变：T178A 突变：T178A ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG400, 50mM Tris-HCl Buffer at pH8, co crystallized with 4mM NADH and 20mM CXF. Protein at 25 mg /mL
分辨率 1.44 Å R-free 0.206

共 104 个其他 PDB 条目、117 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 ADH1E_HORSE
Isoform —
PDB实体 1
链与序列区间 作者链 A； PDB构建体 1–374； UniProt 2–375 作者链 B； PDB构建体 1–374； UniProt 2–375

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

SAXS profile for 5kj1

P(r) 距离分布 P(r) Distribution

P(r) distribution for 5kj1
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id5kj1
沉积日期 deposition_date2016-06-17
结构标题 titleG173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol
关键词 keywordsOXIDOREDUCTASE Inhibitor complex Rossmann fold dynamics, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 methodX-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_guinier29.63 Å
回转半径 Rg (电子) rg_electron29.57 Å
零角强度 I(0) i0105693000.00
分子量 molecular_weight82102.0 kDa
排除体积 excluded_volume103040 ų
包络体积 envelope_volume118660 ų
水化壳体积 shell_volume34216 ų
包络直径 envelope_diameter110.1 Å
壳层 Rg shell_rg35.90 Å
包络 Rg envelope_rg29.76 Å
形状 Rg shape_rg29.58 Å
总 Rg total_rg30.07 Å
总原子数 total_atoms5722
残基数 n_residues748
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax104.1 Å
Rg (实空间) rg_real29.78 Å
Rg 误差 (实空间) rg_real_error0.76 Å
I(0) (实空间) i0_real1.0570e+08
I(0) 误差 (实空间) i0_real_error1.6270e+06
Rg (倒空间) rg_reciprocal29.71 Å
I(0) (倒空间) i0_reciprocal105700000.0000
解质量估计 total_estimate0.8466
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary29.5 Å
偏度 Skewness skewness0.501
峰度 Kurtosis kurtosis-0.269
角度范围 angular_range— – 0.2650 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha50430000.0000
实空间数据点数 n_real_points54
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.724; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.859; Smooth: 0.970
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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)

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7. 折叠分类 (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

结构域编号 domain_id5kj1A01
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology180 — Quinone Oxidoreductase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Medium-chain alcohol dehydrogenases, catalytic domain
结构域编号 domain_id5kj1A02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
结构域编号 domain_id5kj1B01
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology180 — Quinone Oxidoreductase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Medium-chain alcohol dehydrogenases, catalytic domain
结构域编号 domain_id5kj1B02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
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8. 引用文献 (2)

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9. 文件与曲线 (10)