+Open data
-Basic information
Entry | Database: PDB / ID: 3wel | |||||||||
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Title | Sugar beet alpha-glucosidase with acarviosyl-maltotriose | |||||||||
Components | Alpha-glucosidase | |||||||||
Keywords | HYDROLASE / alpha-glucosidase / glycoside hydrolase family 31 / (beta/alpha)8-barrel / acarbose derivative | |||||||||
Function / homology | Function and homology information alpha-glucosidase / maltose alpha-glucosidase activity / carbohydrate binding Similarity search - Function | |||||||||
Biological species | Beta vulgaris (beet) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / rigid body refinement / Resolution: 1.84 Å | |||||||||
Authors | Tagami, T. / Yamashita, K. / Okuyama, M. / Mori, H. / Yao, M. / Kimura, A. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2014 Title: Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate Authors: Tagami, T. / Yamashita, K. / Okuyama, M. / Mori, H. / Yao, M. / Kimura, A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3wel.cif.gz | 358.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3wel.ent.gz | 288.6 KB | Display | PDB format |
PDBx/mmJSON format | 3wel.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/we/3wel ftp://data.pdbj.org/pub/pdb/validation_reports/we/3wel | HTTPS FTP |
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-Related structure data
Related structure data | 3wemC 3wenC 3weoC 3w37S C: citing same article (ref.) S: Starting model for refinement |
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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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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 102512.211 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: seeds / Source: (natural) Beta vulgaris (beet) / Strain: cv. Abend / References: UniProt: L0N7E5, alpha-glucosidase |
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-Sugars , 2 types, 3 molecules
#2: Polysaccharide | Source method: isolated from a genetically manipulated source #3: Polysaccharide | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D- ...4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Type: oligosaccharide / Mass: 807.746 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source |
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-Non-polymers , 3 types, 607 molecules
#4: Chemical | #5: Chemical | ChemComp-SO4 / | #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: 2.16 Å3/Da / Density % sol: 43.04 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 50mM ammonium sulfate, 50mM sodium acetate buffer, 17% PEG monomethylether 2000, 33.3mM acarviosyl-maltotriose, pH 4.5, vapor diffusion, hanging drop, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: RAYONIX MX225HE / Detector: CCD / Date: May 26, 2012 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.84→38.87 Å / Num. obs: 77140 / % possible obs: 98.8 % / Observed criterion σ(I): -3 / Redundancy: 3.55 % / Biso Wilson estimate: 29.077 Å2 / Rmerge(I) obs: 0.099 / Net I/σ(I): 9.16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: rigid body refinement Starting model: PDB ENTRY 3W37 Resolution: 1.84→38.87 Å / Occupancy max: 1 / Occupancy min: 0.21 / FOM work R set: 0.8737 / SU ML: 0.18 / σ(F): 1.35 / Phase error: 19.72 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 108.51 Å2 / Biso mean: 25.3559 Å2 / Biso min: 6.67 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.84→38.87 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 11
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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