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- PDB-1m2w: Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1m2w | ||||||
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Title | Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex with NAD and D-mannitol | ||||||
![]() | mannitol dehydrogenase | ||||||
![]() | OXIDOREDUCTASE / Rossmann fold / di-nucleotide binding motif / long-chain dehydrogenase / polyol dehydrogenase / secondary alcohol dehydrogenase | ||||||
Function / homology | ![]() mannitol 2-dehydrogenase / mannitol dehydrogenase activity / mannitol 2-dehydrogenase activity / mannitol metabolic process / nucleotide binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kavanagh, K.L. / Klimacek, M. / Nidetzky, B. / Wilson, D.K. | ||||||
![]() | ![]() Title: Crystal Structure of Pseudomonas fluorescens Mannitol 2-Dehydrogenase Binary and Ternary Complexes. Specificity and Catalytic Mechanism Authors: Kavanagh, K.L. / Klimacek, M. / Nidetzky, B. / Wilson, D.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 210.6 KB | Display | ![]() |
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PDB format | ![]() | 177.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 41.9 KB | Display | |
Data in CIF | ![]() | 61.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1lj8SC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 55072.531 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.57 Å3/Da / Density % sol: 52.22 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 34% PEG 4000, 250 mM ammonium acetate, 100 mM sodium citrate, 10 mM DTT, pH 5.0, VAPOR DIFFUSION, HANGING DROP at 293K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.5 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Apr 24, 2002 |
Radiation | Monochromator: silicon crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9198 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→30 Å / Num. all: 105733 / Num. obs: 104464 / % possible obs: 99.5 % / Observed criterion σ(I): 2 / Redundancy: 3.5 % / Rmerge(I) obs: 0.064 / Net I/σ(I): 18.4 |
Reflection shell | Resolution: 1.8→1.84 Å / Rmerge(I) obs: 0.371 / Mean I/σ(I) obs: 2.8 / % possible all: 96.1 |
Reflection | *PLUS Highest resolution: 1.8 Å / Num. obs: 105300 / Num. measured all: 367595 / Rmerge(I) obs: 0.064 |
Reflection shell | *PLUS Highest resolution: 1.8 Å / % possible obs: 96.1 % / Rmerge(I) obs: 0.371 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1LJ8 Resolution: 1.8→30 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.8→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.84 Å /
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Refinement | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 30 Å / Rfactor obs: 0.1761 / Rfactor Rfree: 0.202 / Rfactor Rwork: 0.176 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |