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- PDB-4fls: Crystal structure of Amylosucrase inactive double mutant F290K-E3... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4fls | |||||||||
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Title | Crystal structure of Amylosucrase inactive double mutant F290K-E328Q from Neisseria polysaccharea in complex with sucrose. | |||||||||
![]() | Amylosucrase | |||||||||
![]() | TRANSFERASE / BETA/ALPHA-BARREL / GLYCOSIDE HYDROLASE / AMYLOSE SYNTHESIS / SUCROSE ISOMERIZATION / GLUCOSYLTRANSFERASE CARBOHYDRATE | |||||||||
Function / homology | ![]() amylosucrase / amylosucrase activity / carbohydrate metabolic process / extracellular region Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Guerin, F. / Champion, E. / Moulis, C. / Barbe, S. / Tran, T.H. / Morel, S. / Descroix, K. / Monsan, P. / Mulard, L.A. / Remaud-Simeon, M. ...Guerin, F. / Champion, E. / Moulis, C. / Barbe, S. / Tran, T.H. / Morel, S. / Descroix, K. / Monsan, P. / Mulard, L.A. / Remaud-Simeon, M. / Andre, I. / Mourey, L. / Tranier, S. | |||||||||
![]() | ![]() Title: Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides. Authors: Champion, E. / Guerin, F. / Moulis, C. / Barbe, S. / Tran, T.H. / Morel, S. / Descroix, K. / Monsan, P. / Mourey, L. / Mulard, L.A. / Tranier, S. / Remaud-Simeon, M. / Andre, I. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 143.8 KB | Display | ![]() |
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PDB format | ![]() | 110.2 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 | ![]() | 26 KB | Display | |
Data in CIF | ![]() | 37.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4floC ![]() 4flqC ![]() 4flrC ![]() 1g5aS 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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Unit cell |
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Components
#1: Protein | Mass: 71545.102 Da / Num. of mol.: 1 / Fragment: Amylosucrase (unp residues 13-636) / Mutation: F290K, E328Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||
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#2: Polysaccharide | #3: Chemical | ChemComp-CL / | #4: Chemical | ChemComp-GOL / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.08 Å3/Da / Density % sol: 40.92 % |
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Crystal grow | Temperature: 285 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 30% PEG 6000, 0.1 M HEPES, 0.020 M sucrose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 12, 2010 |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→57.35 Å / Num. all: 27320 / Num. obs: 26993 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.3 % / Rmerge(I) obs: 0.142 / Net I/σ(I): 5.1 |
Reflection shell | Resolution: 2.3→2.42 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.418 / Mean I/σ(I) obs: 1.9 / Num. unique all: 3768 / % possible all: 96.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1G5A Resolution: 2.3→11.98 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.907 / SU B: 6.806 / SU ML: 0.164 / Cross valid method: THROUGHOUT / ESU R: 0.487 / ESU R Free: 0.239 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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 mean: 17.361 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→11.98 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.358 Å / Total num. of bins used: 20
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