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Open data
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Basic information
Entry | Database: PDB / ID: 1jvb | ||||||
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Title | ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS | ||||||
![]() | NAD(H)-DEPENDENT ALCOHOL DEHYDROGENASE | ||||||
![]() | OXIDOREDUCTASE / ARCHAEON / ZINC / NAD | ||||||
Function / homology | ![]() alcohol dehydrogenase (NAD+) activity / alcohol dehydrogenase / zinc ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Esposito, L. / Sica, F. / Zagari, A. / Mazzarella, L. | ||||||
![]() | ![]() Title: Crystal structure of the alcohol dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus at 1.85 A resolution. Authors: Esposito, L. / Sica, F. / Raia, C.A. / Giordano, A. / Rossi, M. / Mazzarella, L. / Zagari, A. #1: ![]() Title: NADP-dependent Bacterial Alcohol Dehydrogenases: Crystal Structure, Co-Factor-Binding and Co-Factor Specificity of the ADHS of Clostridium beijerinckii and Thermoanaerobacter brockii Authors: Korkhin, Y. / Kalb, A.J. / Peretz, M. / Bogin, O. / Burstein, Y. / Frolow, F. #2: ![]() Title: Three Dimensional Structure of Horse Liver Alcoholdehydrogenase at 2.4 Angstrom Resolution Authors: Eklund, H. / Nordstrom, B. / Zeppezauer, E. / Soderlund, G. / Ohlsson, I. / Boiwe, T. / Soderberg, B.O. / Tapia, O. / Branden, C.I. / Akeson, A. #3: ![]() Title: Crystal Structure of NADP(H)-Dependent Ketose Reductase from Besimia Argentifolii at 2.3 Angstrom Resolution Authors: Banfield, M.J. / Salvucci, M.E. / Baker, E.N. / Smith, C.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 80.1 KB | Display | ![]() |
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PDB format | ![]() | 63.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Details | The biological assembly is a tetramer generated from the monomer in the asymmetric unit by the operations: -y,-x,-z, y,x,-z, -x,-y,z |
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Components
#1: Protein | Mass: 37990.680 Da / Num. of mol.: 1 / Fragment: APO-ENZYME FORM Source method: isolated from a genetically manipulated source Details: APO-ENZYME FORM / Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Chemical | #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 59 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 295 K / Method: batch / pH: 6.3 Details: 6% (V/V) PEG 4000, 6% (V/V) ISOPROPANOL, 50MM SODIUM CITRATE PH 5.6, 50MM TRIS PH 7.8, pH 6.3, batch, temperature 295K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7.8 / Method: batch method | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K | |||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||||||||
Detector | Type: ADSC / Detector: CCD / Date: Nov 30, 2000 | |||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.85→40 Å / Num. all: 39211 / Num. obs: 39211 / % possible obs: 99.9 % / Redundancy: 10.3 % / Biso Wilson estimate: 28 Å2 / Rmerge(I) obs: 0.056 / Net I/σ(I): 37.8 | |||||||||||||||
Reflection shell | Resolution: 1.85→1.89 Å / Redundancy: 8.1 % / Rmerge(I) obs: 0.358 / Mean I/σ(I) obs: 6.3 / % possible all: 99.3 | |||||||||||||||
Reflection | *PLUS Lowest resolution: 40 Å / Num. measured all: 393222 / Rmerge(I) obs: 0.056 | |||||||||||||||
Reflection shell | *PLUS % possible obs: 99.9 % / Rmerge(I) obs: 0.358 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 44.61 Å2 / ksol: 0.352225 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.85→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.85→1.89 Å / Rfactor Rfree error: 0.019 / Total num. of bins used: 15
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Refinement | *PLUS Lowest resolution: 40 Å / Rfactor Rfree: 0.22 / Rfactor Rwork: 0.191 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.272 / Rfactor Rwork: 0.234 |