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- PDB-7o84: Structure of the PL6 family alginate lyase Pedsa0632 from Pseudop... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7o84 | ||||||
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Title | Structure of the PL6 family alginate lyase Pedsa0632 from Pseudopedobacter saltans in complex with substrate | ||||||
![]() | Alginate lyase | ||||||
![]() | LYASE / beta helix | ||||||
Function / homology | PL-6 family / Chondroitinase B / Parallel beta-helix repeat / Parallel beta-helix repeats / Pectin lyase fold / Pectin lyase fold/virulence factor / Alginate lyase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ballut, L. / Violot, S. / Carrique, L. / Aghajari, N. | ||||||
![]() | ![]() Title: Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity. Authors: Violot, S. / Galisson, F. / Carrique, L. / Jugnarain, V. / Conchou, L. / Robert, X. / Thureau, A. / Helbert, W. / Aghajari, N. / Ballut, L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 180.6 KB | Display | ![]() |
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PDB format | ![]() | 138.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 33.5 KB | Display | |
Data in CIF | ![]() | 48.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 47450.051 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 51119 / DSM 12145 / JCM 21818 / LMG 10337 / NBRC 100064 / NCIMB 13643 Gene: Pedsa_0632 / Plasmid: pET28a / Production host: ![]() ![]() #2: Polysaccharide | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L- ...4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | Type: oligosaccharide / Mass: 528.372 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source #3: Polysaccharide | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L- ...4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | Type: oligosaccharide / Mass: 704.495 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.45 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / Details: 0.2 M Amm chloride, 20% (w/v) PEG 3350 |
-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: Jul 20, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.07227 Å / Relative weight: 1 |
Reflection | Resolution: 2.17→47.58 Å / Num. obs: 46036 / % possible obs: 97.8 % / Redundancy: 3.3 % / CC1/2: 0.99 / Net I/σ(I): 4.8 |
Reflection shell | Resolution: 2.17→2.31 Å / Num. unique obs: 7197 / CC1/2: 0.43 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: native Pedsa0632 Resolution: 2.177→43.97 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.874 / SU R Cruickshank DPI: 0.299 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.305 / SU Rfree Blow DPI: 0.239 / SU Rfree Cruickshank DPI: 0.24
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Displacement parameters | Biso max: 78.09 Å2 / Biso mean: 40.9879 Å2 / Biso min: 21.27 Å2
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Refine analyze | Luzzati coordinate error obs: 0.35 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.177→43.97 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.18→2.2 Å / Rfactor Rfree error: 0 / Total num. of bins used: 51
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