+Open data
-Basic information
Entry | Database: PDB / ID: 1d1s | ||||||
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Title | WILD-TYPE HUMAN SIGMA (CLASS IV) ALCOHOL DEHYDROGENASE | ||||||
Components | ALCOHOL DEHYDROGENASE CLASS IV SIGMA CHAIN | ||||||
Keywords | OXIDOREDUCTASE / ROSSMAN OR DINUCLEOTIDE FOLD | ||||||
Function / homology | Function and homology information omega-hydroxydecanoate dehydrogenase / omega-hydroxydecanoate dehydrogenase activity / ethanol binding / aldehyde oxidase activity / all-trans-retinol dehydrogenase (NAD+) / fatty acid omega-oxidation / receptor antagonist activity / Ethanol oxidation / alcohol dehydrogenase (NAD+) activity / alcohol dehydrogenase (NAD+) activity, zinc-dependent ...omega-hydroxydecanoate dehydrogenase / omega-hydroxydecanoate dehydrogenase activity / ethanol binding / aldehyde oxidase activity / all-trans-retinol dehydrogenase (NAD+) / fatty acid omega-oxidation / receptor antagonist activity / Ethanol oxidation / alcohol dehydrogenase (NAD+) activity / alcohol dehydrogenase (NAD+) activity, zinc-dependent / : / all-trans-retinol dehydrogenase (NAD+) activity / alcohol dehydrogenase / retinoic acid metabolic process / retinol metabolic process / retinoid metabolic process / retinol binding / response to bacterium / response to ethanol / zinc ion binding / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.5 Å | ||||||
Authors | Xie, P.T. / Hurley, T.D. | ||||||
Citation | Journal: Protein Sci. / Year: 1999 Title: Methionine-141 directly influences the binding of 4-methylpyrazole in human sigma sigma alcohol dehydrogenase. Authors: Xie, P.T. / Hurley, T.D. #1: Journal: J.Biol.Chem. / Year: 1997 Title: X-ray structure of human class IV sigma-sigma alcohol dehydrogenase Authors: Xie, P.T. / Parsons, S.H. / Speckhard, D.C. / Bosron, W.F. / 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 | 1d1s.cif.gz | 302.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1d1s.ent.gz | 245.6 KB | Display | PDB format |
PDBx/mmJSON format | 1d1s.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d1/1d1s ftp://data.pdbj.org/pub/pdb/validation_reports/d1/1d1s | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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2 |
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4 |
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Unit cell |
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-Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 39924.352 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) / References: UniProt: P40394, alcohol dehydrogenase |
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-Non-polymers , 5 types, 449 molecules
#2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-ACT / #4: Chemical | ChemComp-CAC / #5: Chemical | ChemComp-NAD / #6: 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: 2.93 Å3/Da / Density % sol: 58.09 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 100 MM CACODYLATE, 100 MM ZINC ACETATE, 7.5 MM NAD+, 18% POLYETHYLENE GLYCOL 6000, 8 MG/ML ENZYME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: unknown | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Aug 10, 1997 |
Radiation | 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→50 Å / Num. all: 64199 / Num. obs: 58678 / % possible obs: 91.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.33 % / Biso Wilson estimate: 42.2 Å2 / Rmerge(I) obs: 0.085 / Net I/σ(I): 17.1 |
Reflection shell | Resolution: 2.5→2.6 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.368 / % possible all: 76 |
Reflection | *PLUS Num. measured all: 254379 |
Reflection shell | *PLUS % possible obs: 76 % / Mean I/σ(I) obs: 2.6 |
-Processing
Software |
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Refinement | Resolution: 2.5→50 Å / σ(F): 0.5 / σ(I): 0.5 / Stereochemistry target values: ENGH AND HUBER
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Refinement step | Cycle: LAST / Resolution: 2.5→50 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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