ALCOHOL DEHYDROGENASE
OrganismNot specified
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 1–374 Chain D； UniProt 1–374 | Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：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 | Resolution 2.50 Å |
| 2 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain B； UniProt 1–374 Chain C； UniProt 1–374 | Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：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 | Resolution 2.50 Å |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 1LDY | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1A71 TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL Deposited 1998-03-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Mutation：F93W, V203A Mutation：F93W, V203A | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1998-03-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Mutation：F93W, V203A | ZN ZINC ION × 4 PAD 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1993-12-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 CND 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE × 2 EOH ETHANOL × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å |
| 1ADC CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES Deposited 1993-12-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 PAD 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE × 2 EOH ETHANOL × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 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 Deposited 1993-10-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 TAD BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 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 Deposited 1993-10-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 SAD BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 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 Deposited 1997-10-15 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Mutation：F93W Mutation：F93W | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1997-10-15 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Mutation：V203A Mutation：V203A | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.4；pH 8.4
|
Resolution 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 Deposited 1997-10-15 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–374（374 aa）
Chain D
1–374（374 aa）
|
Mutation：V203A Mutation：V203A | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ETF TRIFLUOROETHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.4；pH 8.4
|
Resolution 2.50 Å R-free 0.294 |
| 1BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE Deposited 1996-11-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain D
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.00 Å R-free 0.230 |
| 1BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE Deposited 1996-11-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
1–374（374 aa）
Chain C
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.00 Å R-free 0.230 |
| 1HET atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH Deposited 2000-11-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.2；pH 8.20
|
Resolution 1.15 Å R-free 0.135 |
| 1HEU ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH Deposited 2000-11-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | CD CADMIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.2；pH 8.20
|
Resolution 1.15 Å R-free 0.149 |
| 1HF3 ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH Deposited 2000-11-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | CD CADMIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.2；pH 8.20
|
Resolution 1.95 Å R-free 0.214 |
| 1HLD STRUCTURES OF HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH NAD+ AND SUBSTITUTED BENZYL ALCOHOLS Deposited 1993-11-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | 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 provides none of the parsed conditions | Resolution 2.10 Å |
| 1JU9 HORSE LIVER ALCOHOL DEHYDROGENASE VAL292SER MUTANT Deposited 2001-08-24 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Mutation：V292S Mutation：V292S | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.232 |
| 1LDE HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND N-FORMYL PIPERDINE Deposited 1996-12-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
1–374（374 aa）
Chain C
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 FPI N-FORMYLPIPERIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.50 Å R-free 0.256 |
| 1LDE HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND N-FORMYL PIPERDINE Deposited 1996-12-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain D
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 FPI N-FORMYLPIPERIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.50 Å R-free 0.256 |
| 1MG0 Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol Deposited 2002-08-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DFB 2,3-DIFLUOROBENZYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
|
Resolution 1.80 Å R-free 0.214 |
| 1MG0 Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol Deposited 2002-08-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–374（374 aa）
Chain D
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DFB 2,3-DIFLUOROBENZYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
|
Resolution 1.80 Å R-free 0.214 |
| 1MGO Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant Deposited 2002-08-15 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Mutation：F93A Mutation：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 crystallization conditions
Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
|
Resolution 1.20 Å R-free 0.209 |
| 1N8K Horse Liver Alcohol Dehydrogenase Val292Thr Mutant Complexed to NAD+ and Pyrazole Deposited 2002-11-21 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Mutation：V292T Mutation：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 crystallization conditions
pH 7；277 K；MPD, pH 7.0, dialysis, temperature 277K, pH 7.00
|
Resolution 1.13 Å R-free 0.167 |
| 1N92 Horse Liver Alcohol Dehydrogenase Complexed with NAD+ and 4-Iodopyrazole Deposited 2002-11-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | 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 crystallization conditions
Dialysis；pH 7；277 K；MPD, pH 7.0, Dialysis, temperature 277K
|
Resolution 1.47 Å R-free 0.183 |
| 1P1R Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide Deposited 2003-04-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | 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 crystallization conditions
pH 7；277 K；MPD, 50 mM ammonium tris-[(hydroxymethyl)methyl]-2-aminosulfonate buffer, 0.25 mM EDTA, pH 7.0, dialysis, temperature 277K
|
Resolution 1.57 Å R-free 0.200 |
| 1P1R Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide Deposited 2003-04-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–374（374 aa）
Chain D
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 NMH (R)-N-(1-METHYL-HEXYL)-FORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；277 K；MPD, 50 mM ammonium tris-[(hydroxymethyl)methyl]-2-aminosulfonate buffer, 0.25 mM EDTA, pH 7.0, dialysis, temperature 277K
|
Resolution 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 Deposited 1999-08-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Mutation：YES | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.07 Å R-free 0.254 |
| 1QLJ HORSE LIVER ALCOHOL DEHYDROGENASE APO ENZYME DOUBLE MUTANT OF GLY 293 ALA AND PRO 295 THR Deposited 1999-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–374（374 aa）
|
Mutation：YES | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.80 Å R-free 0.257 |
| 1QV6 HORSE LIVER ALCOHOL DEHYDROGENASE HIS51GLN/LYS228ARG MUTANT COMPLEXED WITH NAD+ AND 2,4-DIFLUOROBENZYL ALCOHOL Deposited 2003-08-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Fragment：Recombinant without the wild-type N-acetyl group
Chain B
1–374（374 aa）
Fragment：Recombinant without the wild-type N-acetyl group
|
Mutation：H51Q and K228R Mutation：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 crystallization conditions
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
|
Resolution 1.80 Å R-free 0.203 |
| 1QV7 HORSE LIVER ALCOHOL DEHYDROGENASE HIS51GLN/LYS228ARG MUTANT COMPLEXED WITH NAD+ AND 2,3-DIFLUOROBENZYL ALCOHOL Deposited 2003-08-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Fragment：Recombinant enzyme without the N-acetyl group found in natural enzyme
Chain B
1–374（374 aa）
Fragment：Recombinant enzyme without the N-acetyl group found in natural enzyme
|
Mutation：H51Q and K228R Mutation：H51Q and K228R | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DFB 2,3-DIFLUOROBENZYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.80 Å R-free 0.222 |
| 1YE3 HORSE LIVER ALCOHOL DEHYDROGENASE APOENZYME Deposited 2004-12-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICRODIALYSIS；pH 8.4；278 K；50 mM Tris-HCl, 25% methylpentanediol, pH 8.4, MICRODIALYSIS, temperature 278K
|
Resolution 1.59 Å R-free 0.256 |
| 2JHF Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase Deposited 2007-02-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | CD CADMIUM ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
DIALYSIS 30 MM TRIS/HCL PH 8.2 25 % MPD
|
Resolution 1.00 Å R-free 0.152 |
| 2JHG Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase Deposited 2007-02-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 IBO 2-METHYLPROPANAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
DIALYSIS 30 MM TRIS/HCL PH 8.2 25 % MPD
|
Resolution 1.20 Å R-free 0.142 |
| 2OHX REFINED CRYSTAL STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE-NADH COMPLEX AT 1.8 ANGSTROMS RESOLUTION Deposited 1993-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 2OXI REFINED CRYSTAL STRUCTURE OF CU-SUBSTITUTED ALCOHOL DEHYDROGENASE AT 2.1 ANGSTROMS RESOLUTION Deposited 1993-11-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | CU COPPER (II) ION × 2 ZN ZINC ION × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å |
| 3BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3S)3-BUTYLTHIOLANE 1-OXIDE Deposited 1996-11-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain D
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.66 Å R-free 0.223 |
| 3BTO HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3S)3-BUTYLTHIOLANE 1-OXIDE Deposited 1996-11-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
1–374（374 aa）
Chain C
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 SSB 3-BUTYLTHIOLANE 1-OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 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 Deposited 2010-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：A317C Mutation：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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.162 |
| 4DWV Horse alcohol dehydrogenase complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol Deposited 2012-02-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.14 Å R-free 0.144 |
| 4DXH Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol Deposited 2012-02-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2013-10-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V207A Mutation：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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.166 |
| 4NFS V203A horse liver alcohol dehydrogenase E complexed with NAD and 2,2,2-trifluoroethanol Deposited 2013-10-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V203A Mutation：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 crystallization conditions
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
|
Resolution 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 Deposited 2013-11-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V203A Mutation：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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.137 |
| 4XD2 Horse liver alcohol dehydrogenase-NADH complex Deposited 2014-12-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.10 Å R-free 0.198 |
| 5ADH INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE Deposited 1984-01-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 APR ADENOSINE-5-DIPHOSPHORIBOSE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.90 Å |
| 5CDG I220F horse liver alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol Deposited 2015-07-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：I220F Mutation：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 crystallization conditions
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.
|
Resolution 1.40 Å R-free 0.187 |
| 5CDS I220L horse liver alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol Deposited 2015-07-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：I220L Mutation：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 crystallization conditions
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
|
Resolution 1.40 Å R-free 0.184 |
| 5CDT I220V horse liver alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol Deposited 2015-07-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：I220V Mutation：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 crystallization conditions
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
|
Resolution 1.70 Å R-free 0.206 |
| 5CDU I220V horse liver alcohol dehydrogenase complexed with NAD and pyrazole Deposited 2015-07-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：I220V Mutation：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 crystallization conditions
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
|
Resolution 1.60 Å R-free 0.201 |
| 5KCP horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol Deposited 2016-06-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：S48T Mutation：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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.138 |
| 5KCZ horse liver S48T alcohol dehydrogenase complexed with NAD and trifluoroethanol Deposited 2016-06-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：S48T Mutation：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 crystallization conditions
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
|
Resolution 1.14 Å R-free 0.148 |
| 5KJ1 G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol Deposited 2016-06-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：G173A Mutation：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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.170 |
| 5KJ6 V197I Horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol Deposited 2016-06-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V197I Mutation：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 crystallization conditions
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
|
Resolution 1.14 Å R-free 0.164 |
| 5KJC V222I horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol Deposited 2016-06-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V222I Mutation：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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.168 |
| 5KJE F322L horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol Deposited 2016-06-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F322L Mutation：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 crystallization conditions
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
|
Resolution 1.26 Å R-free 0.144 |
| 5KJF V222I horse liver alcohol dehydrogenase complexed with NAD+ and trifluoroethanol Deposited 2016-06-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.153 |
| 5VJ5 Horse Liver Alcohol Dehydrogenase Complexed with 1,10-Phenanthroline Deposited 2017-04-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | ZN ZINC ION × 4 PHN 1,10-PHENANTHROLINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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.
|
Resolution 1.90 Å R-free 0.295 |
| 5VJG horse liver alcohol dehydrogenase complexed with 2,2'bipyridine Deposited 2017-04-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
|
Not recorded | ZN ZINC ION × 4 0BP 2,2'-bipyridine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.90 Å R-free 0.284 |
| 5VKR Horse liver alcohol dehydrogenase complexed with adenosine-5-diphosphoribose Deposited 2017-04-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
|
Not recorded | ZN ZINC ION × 4 APR ADENOSINE-5-DIPHOSPHORIBOSE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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.
|
Resolution 1.80 Å R-free 0.248 |
| 5VL0 horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide Deposited 2017-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.20 Å R-free 0.199 |
| 5VL0 horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide Deposited 2017-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
2–375（374 aa）
Chain D
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.20 Å R-free 0.199 |
| 5VN1 horse liver alcohol dehydrogenae complexed with NADH (R,S)-N-1-methylhexylformamide Deposited 2017-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.25 Å R-free 0.187 |
| 5VN1 horse liver alcohol dehydrogenae complexed with NADH (R,S)-N-1-methylhexylformamide Deposited 2017-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
2–375（374 aa）
Chain D
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.25 Å R-free 0.187 |
| 6ADH STRUCTURE OF TRICLINIC TERNARY COMPLEX OF HORSE LIVER ALCOHOL DEHYDROGENASE AT 2.9 ANGSTROMS RESOLUTION Deposited 1984-01-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
Chain B
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.90 Å |
| 6CXX Horse liver E267H alcohol dehydrogenase complex with 3'-dephosphocoenzyme A Deposited 2018-04-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：E267H Mutation：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 crystallization conditions
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 %.
|
Resolution 1.26 Å R-free 0.208 |
| 6CY3 Horse liver E267N alcohol dehydrogenase complex with 3'-dephosphocoenzyme A Deposited 2018-04-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
|
Mutation：E267N | ZN ZINC ION × 4 COD DEPHOSPHO COENZYME A × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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 %.
|
Resolution 2.30 Å R-free 0.310 |
| 6NBB Horse liver alcohol dehydrogenase determined using single-particle cryo-EM at 200 keV Deposited 2018-12-06 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 ZN ZINC ION × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8.5
cryo-EM vitrification conditions
Cryogen ETHANE；Sample was manually blotted for 4-5 seconds using Whatman No. 1 filter paper immediately prior to plunge-freezing.
|
Resolution 2.90 Å |
| 6O91 Horse liver L57F alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol Deposited 2019-03-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：L57F Mutation：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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.132 |
| 6OA7 Horse liver L57F alcohol dehydrogenase E complexed with NAD and trifluoroethanol Deposited 2019-03-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：L57F Mutation：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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.131 |
| 6OWM Horse liver F93W alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol Deposited 2019-05-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93W Mutation：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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.141 |
| 6OWP Horse liver F93W alcohol dehydrogenase complexed with NAD and trifluoroethanol Deposited 2019-05-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93W Mutation：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 crystallization conditions
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
|
Resolution 1.14 Å R-free 0.142 |
| 6XT2 EQADH-NADH-HEPTAFLUOROBUTANOL, P21 Deposited 2020-07-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.55 Å R-free 0.192 |
| 6XT2 EQADH-NADH-HEPTAFLUOROBUTANOL, P21 Deposited 2020-07-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
2–375（374 aa）
Chain D
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.55 Å R-free 0.192 |
| 7ADH THREE-DIMENSIONAL STRUCTURE OF ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE Deposited 1984-01-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 2 NTN ISONICOTINAMIDINE × 23 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.20 Å |
| 7JQA EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21 Deposited 2020-08-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 BRB PARA-BROMOBENZYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.53 Å R-free 0.221 |
| 7JQA EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21 Deposited 2020-08-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
2–375（374 aa）
Chain D
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.53 Å R-free 0.221 |
| 7K35 EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21 Deposited 2020-09-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.20 Å R-free 0.210 |
| 7K35 EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21 Deposited 2020-09-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
2–375（374 aa）
Chain D
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.20 Å R-free 0.210 |
| 7RM6 Horse liver alcohol dehydrogenase in complex with NADH and N-cylcohexyl formamide Deposited 2021-07-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；50 mM Tris-HCl buffer at pH 8.2, 18% (v/v) PEG400
|
Resolution 1.43 Å R-free 0.208 |
| 7U9N S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain C
2–375（374 aa）
|
Mutation：S48A Mutation：S48A | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, and 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 2.20 Å R-free 0.259 |
| 7U9N S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
2–375（374 aa）
Chain D
2–375（374 aa）
|
Mutation：S48A Mutation：S48A | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, and 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 2.20 Å R-free 0.259 |
| 7UA6 Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K Deposited 2022-03-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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,
|
Resolution 1.10 Å R-free 0.140 |
| 7UC9 Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K Deposited 2022-03-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.152 |
| 7UCA Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K Deposited 2022-03-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.146 |
| 7UCU Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K Deposited 2022-03-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.142 |
| 7UDD Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol at 150 K Deposited 2022-03-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.160 |
| 7UDE Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K Deposited 2022-03-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.10 Å R-free 0.160 |
| 7UDR Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 25 K Deposited 2022-03-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.159 |
| 7UEC Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.161 |
| 7UEE Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.144 |
| 7UEF Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.20 Å R-free 0.150 |
| 7UEJ horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 150 K Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2022-03-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：G173A Mutation：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 crystallization conditions
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
|
Resolution 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 Deposited 2022-03-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：G173A Mutation：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 crystallization conditions
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
|
Resolution 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 Deposited 2022-03-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：G173A Mutation：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 crystallization conditions
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
|
Resolution 1.30 Å R-free 0.166 |
| 7UQ9 S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-04-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：S48T Mutation：S48T | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.40 Å R-free 0.183 |
| 7UTW Cd-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-04-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | CD CADMIUM ION × 2 ZN ZINC ION × 2 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.33 Å R-free 0.165 |
| 8ADH INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE Deposited 1989-04-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–374（374 aa）
|
Not recorded | ZN ZINC ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å |
| 8E7U F93A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-08-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93A Mutation：F93A | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.19 Å R-free 0.158 |
| 8ECS F93G Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93G Mutation：F93G | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400(10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.20 Å R-free 0.162 |
| 8ECT F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93A L57A Mutation：F93A L57A | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.60 Å R-free 0.192 |
| 8ECU F93S Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93S Mutation：F93S | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.30 Å R-free 0.164 |
| 8EE3 F93Y Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93Y Mutation：F93Y | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20
|
Resolution 1.55 Å R-free 0.183 |
| 8EIW Cobalt(II)-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Not recorded | CO COBALT (II) ION × 2 ZN ZINC ION × 2 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.65 Å R-free 0.204 |
| 8EIX Cobalt(II)-substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：S48A Mutation：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 crystallization conditions
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
|
Resolution 2.46 Å R-free 0.244 |
| 8EIY Cobalt(II)-substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide Deposited 2022-09-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：S48T Mutation：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 crystallization conditions
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
|
Resolution 2.55 Å R-free 0.263 |
| 8G2L Horse liver alcohol dehydrogense His-51 Gln form complexed with NAD+ and 2,2,2-trifluoroethanol Deposited 2023-02-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：H51Q Mutation：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 crystallization conditions
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
|
Resolution 1.42 Å R-free 0.211 |
| 8G2S Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and capric acid Deposited 2023-02-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：H51Q Mutation：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 crystallization conditions
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.
|
Resolution 1.45 Å R-free 0.189 |
| 8G2X Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and pyrazole Deposited 2023-02-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：H51Q Mutation：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 crystallization conditions
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.
|
Resolution 1.47 Å R-free 0.191 |
| 8G39 Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH and N-cyclohexylformamide Deposited 2023-02-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：H51Q Mutation：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 crystallization conditions
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.
|
Resolution 1.42 Å R-free 0.191 |
| 8G41 Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH Deposited 2023-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：H51Q Mutation：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 crystallization conditions
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.
|
Resolution 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 Deposited 2023-02-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：H51Q Mutation：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 crystallization conditions
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.
|
Resolution 1.20 Å R-free 0.161 |
| 9CM6 Horse liver alcohol dehydrogenase V203L in complex with NADH and N-cylcohexyl formamide Deposited 2024-07-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V203L Mutation：V203L | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG 400, Tris Buffer
|
Resolution 1.47 Å R-free 0.188 |
| 9CMQ Horse liver alcohol dehydrogenase V203A in complex with NADH and N-cylcohexyl formamide Deposited 2024-07-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：V203A Mutation：V203A | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG 400, Tris Buffer
|
Resolution 1.49 Å R-free 0.183 |
| 9CQK Horse liver alcohol dehydrogenase F93W in complex with NADH and N-cylcohexyl formamide Deposited 2024-07-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：F93W Mutation：F93W | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；PEG 400, Tris Buffer
|
Resolution 1.65 Å R-free 0.209 |
| 9NKK Horse liver alcohol dehydrogenase T178A in complex with NADH and N-cylcohexyl formamide Deposited 2025-02-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–375（374 aa）
Chain B
2–375（374 aa）
|
Mutation：T178A Mutation：T178A | ZN ZINC ION × 4 NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 2 CXF CYCLOHEXYLFORMAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 1.44 Å R-free 0.206 |
104 other PDB entries and 116 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ADHE_HORSE |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–374； UniProt 1–374 Author chain B； PDBConstruct 1–374； UniProt 1–374 Author chain C； PDBConstruct 1–374； UniProt 1–374 Author chain D； PDBConstruct 1–374； UniProt 1–374 |
