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- PDB-3wie: Structure of a glucose dehydrogenase T277F mutant in complex with... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3wie | ||||||
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Title | Structure of a glucose dehydrogenase T277F mutant in complex with D-glucose and NAADP | ||||||
![]() | Glucose 1-dehydrogenase | ||||||
![]() | OXIDOREDUCTASE / Rossmann fold | ||||||
Function / homology | ![]() non-phosphorylated glucose catabolic process / glucose 1-dehydrogenase (NAD+) activity / glucose 1-dehydrogenase (NADP+) activity / glucose 1-dehydrogenase [NAD(P)+] / glucose 1-dehydrogenase [NAD(P)+] activity / D-glucose binding / NADP+ binding / NAD+ binding / zinc ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Sakuraba, H. / Kanoh, Y. / Yoneda, K. / Ohshima, T. | ||||||
![]() | ![]() Title: Structural insight into glucose dehydrogenase from the thermoacidophilic archaeon Thermoplasma volcanium. Authors: Kanoh, Y. / Uehara, S. / Iwata, H. / Yoneda, K. / Ohshima, T. / Sakuraba, H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 295.7 KB | Display | ![]() |
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PDB format | ![]() | 241.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 57.5 KB | Display | |
Data in CIF | ![]() | 76.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3wicC ![]() 3widSC C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 41414.113 Da / Num. of mol.: 4 / Mutation: T277F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC 51530 / DSM 4299 / JCM 9571 / NBRC 15438 / GSS1 Gene: gdh, TV1048, TVG1073292 / Plasmid: pET21 / Production host: ![]() ![]() References: UniProt: Q979W2, glucose 1-dehydrogenase [NAD(P)+] #2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-DN4 / [[( #4: Sugar | ChemComp-BGC / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.14 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: PEG 400, 1,2-propanediol, HEPES, NAADP, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: May 24, 2013 |
Radiation | Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.33→50 Å / Num. all: 75199 / Num. obs: 75199 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 2.33→2.37 Å / % possible all: 99.9 |
-Phasing
Phasing | Method: ![]() |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3wid Resolution: 2.33→28.01 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.929 / Occupancy max: 1 / Occupancy min: 1 / SU B: 6.634 / SU ML: 0.161 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.317 / ESU R Free: 0.235 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 136.12 Å2 / Biso mean: 49.6365 Å2 / Biso min: 19.63 Å2
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Refinement step | Cycle: LAST / Resolution: 2.33→28.01 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.329→2.379 Å / Total num. of bins used: 20
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