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Yorodumi- PDB-2wyf: Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2wyf | |||||||||
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Title | Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution | |||||||||
Components | PA-I GALACTOPHILIC LECTIN | |||||||||
Keywords | SUGAR BINDING PROTEIN / LECTIN | |||||||||
Function / homology | Function and homology information heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules / carbohydrate binding / periplasmic space / cell surface / cytoplasm Similarity search - Function | |||||||||
Biological species | PSEUDOMONAS AERUGINOSA (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | |||||||||
Authors | Nurisso, A. / Blanchard, B. / Varrot, A. / Imberty, A. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2010 Title: Role of Water Molecules in Structure and Energetics of Pseudomonas Aeruginosa Lectin I Interacting with Disaccharides. Authors: Nurisso, A. / Blanchard, B. / Audfray, A. / Rydner, L. / Oscarson, S. / Varrot, A. / Imberty, A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2wyf.cif.gz | 204.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2wyf.ent.gz | 164.4 KB | Display | PDB format |
PDBx/mmJSON format | 2wyf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wy/2wyf ftp://data.pdbj.org/pub/pdb/validation_reports/wy/2wyf | HTTPS FTP |
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-Related structure data
Related structure data | 1okoS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 12770.137 Da / Num. of mol.: 8 / Fragment: RESIDUES 2-122 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Strain: PAO1 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q05097 #2: Polysaccharide | alpha-D-galactopyranose-(1-2)-methyl beta-D-galactopyranoside Source method: isolated from a genetically manipulated source #3: Chemical | ChemComp-CA / #4: Sugar | #5: Water | ChemComp-HOH / | Sequence details | N-TERMINAL METHIONINE | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.98 Å3/Da / Density % sol: 37.54 % / Description: NONE |
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Crystal grow | pH: 4 Details: 15% PEG 6000, 1M LITHIUM CHLORIDE, 100MM CITRIC ACID PH 4.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-1 / Wavelength: 0.934 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Mar 7, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→37.11 Å / Num. obs: 32401 / % possible obs: 99.2 % / Observed criterion σ(I): 2 / Redundancy: 3.1 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 8.5 |
Reflection shell | Resolution: 2.4→2.53 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 3.1 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1OKO Resolution: 2.4→89.8 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.864 / SU B: 9.215 / SU ML: 0.216 / Cross valid method: THROUGHOUT / ESU R: 1.881 / ESU R Free: 0.315 / 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 / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.294 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→89.8 Å
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Refine LS restraints |
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