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Yorodumi- PDB-2c25: 1.8A Crystal Structure of Psathyrella velutina lectin in complex ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2c25 | ||||||
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Title | 1.8A Crystal Structure of Psathyrella velutina lectin in complex with N-acetylneuraminic acid | ||||||
Components | PSATHYRELLA VELUTINA LECTIN PVL | ||||||
Keywords | LECTIN / PSATHYRELLA VELUTINA / N-ACETYL-GLUCOSAMINE | ||||||
Function / homology | FG-GAP-like repeat / FG-GAP repeat / Integrin alpha, N-terminal / metal ion binding / N-acetyl-alpha-neuraminic acid / Lectin PVL Function and homology information | ||||||
Biological species | PSATHYRELLA VELUTINA (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Cioci, G. / Mitchell, E.P. / Chazalet, V. / Gautier, C. / Oscarson, S. / Debray, H. / Perez, S. / Imberty, A. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2006 Title: Beta-Propeller Crystal Structure of Psathyrella Velutina Lectin: An Integrin-Like Fungal Protein Interacting with Monosaccharides and Calcium. Authors: Cioci, G. / Mitchell, E.P. / Chazalet, V. / Debray, H. / Oscarson, S. / Lahmann, M. / Gautier, C. / Breton, C. / Perez, S. / Imberty, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2c25.cif.gz | 172.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2c25.ent.gz | 136.1 KB | Display | PDB format |
PDBx/mmJSON format | 2c25.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c2/2c25 ftp://data.pdbj.org/pub/pdb/validation_reports/c2/2c25 | HTTPS FTP |
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-Related structure data
Related structure data | 2bwmSC 2bwrC 2c4dC C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 43017.410 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: WILD MUSHROOM / Source: (natural) PSATHYRELLA VELUTINA (fungus) / References: UniProt: Q309D1*PLUS #2: Chemical | #3: Sugar | ChemComp-SIA / #4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | Sequence details | AUTHORS SEQUENCE NOT YET DEPOSITED IN SEQUENCE DATABASE. RESIDUE THR 3 HAS BEEN MUTATED TO VAL 3. ...AUTHORS SEQUENCE NOT YET DEPOSITED IN SEQUENCE DATABASE. RESIDUE THR 3 HAS BEEN MUTATED TO VAL 3. THE GENBANK REFERENCE CODE FOR THIS ENTRY IS GQ232759. | |
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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: 2.3 Å3/Da / Density % sol: 45.7 % |
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Crystal grow | pH: 6.5 / Details: 2.2M (NH4)2SO4, 0.1M MES PH 6.5 |
-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: Jun 27, 2005 / Details: MIRRORS |
Radiation | Monochromator: DIAMOND (111), GE(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→24.69 Å / Num. obs: 70971 / % possible obs: 99.8 % / Observed criterion σ(I): 0 / Redundancy: 3.93 % / Biso Wilson estimate: 21.4 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 8.26 |
Reflection shell | Resolution: 1.8→1.85 Å / Redundancy: 3.87 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 1.84 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2BWM Resolution: 1.8→72.17 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.932 / SU B: 3.309 / SU ML: 0.103 / Cross valid method: THROUGHOUT / ESU R: 0.138 / ESU R Free: 0.133 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.44 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→72.17 Å
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Refine LS restraints |
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