+Open data
-Basic information
Entry | Database: PDB / ID: 1hso | ||||||
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Title | HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A) | ||||||
Components | CLASS I ALCOHOL DEHYDROGENASE 1, ALPHA SUBUNIT | ||||||
Keywords | OXIDOREDUCTASE / rossmann fold / alcohol dehydrogenase | ||||||
Function / homology | Function and homology information butanol dehydrogenase (NAD+) activity / Abacavir metabolism / alcohol metabolic process / Ethanol oxidation / RA biosynthesis pathway / alcohol dehydrogenase (NAD+) activity / : / all-trans-retinol dehydrogenase (NAD+) activity / alcohol dehydrogenase / retinol metabolic process ...butanol dehydrogenase (NAD+) activity / Abacavir metabolism / alcohol metabolic process / Ethanol oxidation / RA biosynthesis pathway / alcohol dehydrogenase (NAD+) activity / : / all-trans-retinol dehydrogenase (NAD+) activity / alcohol dehydrogenase / retinol metabolic process / retinoic acid metabolic process / zinc ion binding / nucleoplasm / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Niederhut, M.S. / Gibbons, B.J. / Perez-Miller, S. / Hurley, T.D. | ||||||
Citation | Journal: Protein Sci. / Year: 2001 Title: Three-dimensional structures of the three human class I alcohol dehydrogenases. Authors: Niederhut, M.S. / Gibbons, B.J. / Perez-Miller, S. / Hurley, T.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hso.cif.gz | 161.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hso.ent.gz | 125.5 KB | Display | PDB format |
PDBx/mmJSON format | 1hso.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hso_validation.pdf.gz | 954 KB | Display | wwPDB validaton report |
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Full document | 1hso_full_validation.pdf.gz | 967.2 KB | Display | |
Data in XML | 1hso_validation.xml.gz | 19 KB | Display | |
Data in CIF | 1hso_validation.cif.gz | 29 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hs/1hso ftp://data.pdbj.org/pub/pdb/validation_reports/hs/1hso | HTTPS FTP |
-Related structure data
Related structure data | 1hszC 1ht0C 1dehS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | the biological assembly is the dimer present in the asymmetric unit |
-Components
#1: Protein | Mass: 39776.469 Da / Num. of mol.: 2 / Fragment: ALPHA SUBUNIT Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ADH1A / Plasmid: PKK223-3 / Production host: Escherichia coli (E. coli) / Strain (production host): JM105 / References: UniProt: P07327, alcohol dehydrogenase #2: Chemical | ChemComp-ZN / #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.46 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.2 Details: 14% (w/v) PEG 6000, 100 mM ACES, 2mM NAD+, 2mM 4-iodopyrazole, 10 mg/ml protein, pH 7.2, VAPOR DIFFUSION, SITTING DROP at 298K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 24 ℃ / Method: unknown | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Feb 28, 1996 / Details: graphite monochromator |
Radiation | Monochromator: graphite crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→44 Å / Num. all: 25515 / Num. obs: 23704 / % possible obs: 92.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.05 % / Biso Wilson estimate: 37.1 Å2 / Rmerge(I) obs: 0.092 / Net I/σ(I): 10.5 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 1.75 % / Rmerge(I) obs: 0.294 / Mean I/σ(I) obs: 3.2 / % possible all: 83 |
Reflection | *PLUS Num. measured all: 48374 |
Reflection shell | *PLUS % possible obs: 83 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: pdb entry 1DEH Resolution: 2.5→44 Å / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 21.6 Å2 | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→44 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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