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- PDB-2ade: Crystal structure of fructan 1-exohydrolase IIa from Cichorium in... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2ade | |||||||||
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Title | Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus in complex with fructose | |||||||||
![]() | fructan 1-exohydrolase IIa | |||||||||
![]() | HYDROLASE / five fold beta propeller | |||||||||
Function / homology | ![]() fructan beta-fructosidase / fructan beta-fructosidase activity / carbohydrate metabolic process Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Verhaest, M. / Le Roy, K. / De Ranter, C.J. / Van Laere, A. / Van den Ende, W. / Rabijns, A. | |||||||||
![]() | ![]() Title: Insights into the fine architecture of the active site of chicory fructan 1-exohydrolase: 1-kestose as substrate vs sucrose as inhibitor. Authors: Verhaest, M. / Lammens, W. / Le Roy, K. / De Ranter, C.J. / Van Laere, A. / Rabijns, A. / Van den Ende, W. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 128.7 KB | Display | ![]() |
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PDB format | ![]() | 97.8 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 | ![]() | 24.8 KB | Display | |
Data in CIF | ![]() | 35.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2addC ![]() 2aeyC ![]() 2aezC ![]() 1st8S 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: 61115.965 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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#2: Polysaccharide | alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
#3: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
#4: Sugar | ChemComp-FRU / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 7.2 Å3/Da / Density % sol: 82 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7 Details: sodium potassium phosphate, potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Dec 17, 2004 / Details: bent mirror |
Radiation | Monochromator: triangular monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.931 Å / Relative weight: 1 |
Reflection | Resolution: 2.65→30 Å / Num. all: 52790 / Num. obs: 52450 / % possible obs: 88.1 % / Observed criterion σ(F): 1.41 / Observed criterion σ(I): 2 / Redundancy: 8 % / Biso Wilson estimate: 36.2 Å2 / Rmerge(I) obs: 0.114 |
Reflection shell | Resolution: 2.65→2.7 Å / Num. unique all: 2586 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1ST8 Resolution: 2.65→29.48 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 66253.28 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 30.7468 Å2 / ksol: 0.355455 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.65→29.48 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.65→2.82 Å / Rfactor Rfree error: 0.018 / Total num. of bins used: 6
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Xplor file |
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