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- PDB-7nn3: A carbohydrate esterase family 15 (CE15) glucuronoyl esterase fro... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7nn3 | |||||||||||||||
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Title | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Caldicellulosiruptor kristjansonii | |||||||||||||||
![]() | Beta-xylanase | |||||||||||||||
![]() | HYDROLASE | |||||||||||||||
Function / homology | ![]() endo-1,4-beta-xylanase activity / endo-1,4-beta-xylanase / polysaccharide catabolic process / carbohydrate binding / metal ion binding Similarity search - Function | |||||||||||||||
Biological species | Caldicellulosiruptor kristjanssonii | |||||||||||||||
Method | ![]() ![]() ![]() | |||||||||||||||
![]() | Krska, D. / Mazurkewich, S. / Navarro Poulsen, J. / Larsbrink, J. / Lo Leggio, L. | |||||||||||||||
Funding support | ![]() ![]()
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![]() | ![]() Title: Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii . Authors: Krska, D. / Mazurkewich, S. / Brown, H.A. / Theibich, Y. / Poulsen, J.N. / Morris, A.L. / Koropatkin, N.M. / Lo Leggio, L. / Larsbrink, J. | |||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 417.7 KB | Display | ![]() |
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PDB format | ![]() | 276.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7nwnC ![]() 7nwoC ![]() 7nwpC ![]() 7nwqC ![]() 6ehnS 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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2 | ![]()
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3 | ![]()
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4 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 44577.258 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 700853 / DSM 12137 / I77R1B / Gene: Calkr_2245 / Production host: ![]() ![]() |
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-Non-polymers , 5 types, 1172 molecules ![](data/chem/img/PGE.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-EDO / #4: Chemical | ChemComp-PEG / #5: Chemical | ChemComp-ACT / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.58 Å3/Da / Density % sol: 52.36 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 0.2 M ammonium acetate, 0.1 M bis-tris, and 25% polyethylene glycol 3350. Protein at 51.1 mg/mL. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 1, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9789 Å / Relative weight: 1 |
Reflection | Resolution: 1.88948→48.637 Å / Num. obs: 145210 / % possible obs: 97.33 % / Redundancy: 2.8 % / Biso Wilson estimate: 28.2064645318 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.07681 / Net I/σ(I): 10.03 |
Reflection shell | Resolution: 1.89→1.9367 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.8267 / Num. unique obs: 13403 / CC1/2: 0.443 / % possible all: 90.96 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6EHN Resolution: 1.88948348333→48.6209416022 Å / SU ML: 0.215923441482 / Cross valid method: FREE R-VALUE / σ(F): 1.34353963479 / Phase error: 21.2680332628 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: 32.1434755472 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.88948348333→48.6209416022 Å
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Refine LS restraints |
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LS refinement shell |
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