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Open data
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Basic information
Entry | Database: PDB / ID: 7kw6 | |||||||||
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Title | Crystal structure of the BlCel48B from Bacillus licheniformis | |||||||||
![]() | Exoglucanase-2 | |||||||||
![]() | HYDROLASE / Enzyme / GH48 / Cellulase / Processive | |||||||||
Function / homology | beta-cellobiose / beta-cellotetraose / : ![]() | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Araujo, E.A. / Polikarpov, I. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Impact of cellulose properties on enzymatic degradation by bacterial GH48 enzymes: Structural and mechanistic insights from processive Bacillus licheniformis Cel48B cellulase. Authors: Araujo, E.A. / Dias, A.H.S. / Kadowaki, M.A.S. / Piyadov, V. / Pellegrini, V.O.A. / Urio, M.B. / Ramos, L.P. / Skaf, M.S. / Polikarpov, 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 | ![]() | 207.6 KB | Display | ![]() |
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PDB format | ![]() | 130.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5bv9S 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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1 |
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 79587.359 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Sugars , 2 types, 2 molecules
#2: Polysaccharide | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose |
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#3: Polysaccharide | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose |
-Non-polymers , 3 types, 591 molecules ![](data/chem/img/EDO.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-EDO / #5: Chemical | ChemComp-CA / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.1 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion / pH: 8.5 Details: 0.5M LiCl, 24-28% PEG 6000, 0.1 M Tris, 0.005 M CaCl2 |
-Data collection
Diffraction | Mean temperature: 100.15 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Jul 15, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.45859 Å / Relative weight: 1 |
Reflection | Resolution: 1.67→50 Å / Num. obs: 146189 / % possible obs: 96.1 % / Redundancy: 3 % / Biso Wilson estimate: 12.88 Å2 / CC1/2: 0.99 / Rrim(I) all: 0.076 / Net I/av σ(I): 2.4 / Net I/σ(I): 13.61 |
Reflection shell | Resolution: 1.68→5.02 Å / Mean I/σ(I) obs: 2.4 / Num. unique obs: 75730 / CC1/2: 0.997 / CC star: 0.999 / Rrim(I) all: 0.0779 / % possible all: 99 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5BV9 Resolution: 1.68→29.7 Å / SU ML: 0.1709 / Cross valid method: FREE R-VALUE / σ(F): 1.28 / Phase error: 18.3151 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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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 mean: 14.85 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.68→29.7 Å
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Refine LS restraints |
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LS refinement shell |
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