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- PDB-2vuc: PA-IIL lectin from Pseudomonas aeruginosa complexed with Fucose- ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2vuc | ||||||
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Title | PA-IIL lectin from Pseudomonas aeruginosa complexed with Fucose- derived glycomimetics | ||||||
![]() | FUCOSE-BINDING LECTIN PA-IIL | ||||||
![]() | SUGAR BINDING PROTEIN / SUGAR-BINDING PROTEIN / LECTIN / FUCOSE / GLYCOMIMETICS / CYSTIC FIBROSIS | ||||||
Function / homology | ![]() single-species biofilm formation / carbohydrate binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Beha, S. / Marotte, K. / Sabin, C. / Mitchell, E.P. / Imberty, A. / Roy, R. | ||||||
![]() | ![]() Title: Fucose-Derived Glycomimetics as High Affinity Ligands for Bacterial Lectin Pa-Iil from Pseudomonas Aeruginosa Authors: Beha, S. / Marotte, K. / Sabin, C. / Mitchell, E.P. / Imberty, A. / Roy, R. #1: ![]() Title: Structural Basis for Oligosaccharide-Mediated Adhesion of Pseudomonas Aeruginosa in the Lungs of Cystic Fibrosis Patients. Authors: Mitchell, E. / Houles, C. / Sudakevitz, D. / Wimmerova, M. / Gautier, C. / Perez, S. / Wu, A.M. / Gilboa-Garber, N. / Imberty, A. #2: ![]() Title: Structural Basis for the Interaction between Human Milk Oligosaccharides and the Bacterial Lectin Pa-Iil of Pseudomonas Aeruginosa. Authors: Perret, S. / Sabin, C. / Dumon, C. / Pokorna, M. / Gautier, C. / Galanina, O. / Ilia, S. / Bovin, N. / Nicaise, M. / Desmadril, M. / Gilboa-Garber, N. / Wimmerova, M. / Mitchell, E.P. / Imberty, A. #3: ![]() Title: X-Ray Structures and Thermodynamics of the Interaction of Pa-Iil from Pseudomonas Aeruginosa with Disaccharide Derivatives. Authors: Marotte, K. / Sabin, C. / Preville, C. / Moume-Pymbock, M. / Wimmerova, M. / Mitchell, E.P. / Imberty, A. / Roy, R. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 118.8 KB | Display | ![]() |
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PDB format | ![]() | 91 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.3 MB | Display | ![]() |
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Full document | ![]() | 1.3 MB | Display | |
Data in XML | ![]() | 27.6 KB | Display | |
Data in CIF | ![]() | 41.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2vudC ![]() 1uzvS ![]() 1w43 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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Unit cell |
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 11734.707 Da / Num. of mol.: 4 / Fragment: RESIDUES 2-115 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Sugars , 2 types, 4 molecules ![](data/chem/img/FUC.gif)
![](data/chem/img/YX0.gif)
![](data/chem/img/YX0.gif)
#2: Sugar | ChemComp-FUC / |
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#5: Sugar |
-Non-polymers , 3 types, 743 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-CA / #4: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.6 % / Description: NONE |
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Crystal grow | pH: 8.5 Details: TRIS HCL 0.1M PH8.5, 1.75 M AMMNONIUM SULFATE(THE PA-IIL/GLYCOMIMETIC COMPLEX WAS OBTAINED BY SOAKING METHOD FROM FUCOSE-CONTAINING CRYSTAL) |
-Data collection
Diffraction | Mean temperature: 300 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Apr 28, 2006 / Details: TOROIDAL MIRROR |
Radiation | Monochromator: SINGLE CRYSTAL DIAMOND / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→27.28 Å / Num. obs: 100063 / % possible obs: 99.4 % / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rmerge(I) obs: 0.16 / Net I/σ(I): 18.6 |
Reflection shell | Resolution: 1.3→1.37 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.11 / Mean I/σ(I) obs: 9.5 / % possible all: 99.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1UZV Resolution: 1.3→54.55 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.957 / SU B: 0.513 / SU ML: 0.023 / Cross valid method: THROUGHOUT / ESU R: 0.041 / ESU R Free: 0.043 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 9.23 Å2
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Refinement step | Cycle: LAST / Resolution: 1.3→54.55 Å
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Refine LS restraints |
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