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Yorodumi- PDB-6fx1: Crystal structure of Pholiota squarrosa lectin in complex with an... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6fx1 | |||||||||
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Title | Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide | |||||||||
Components | lectin | |||||||||
Keywords | SUGAR BINDING PROTEIN / lectin / octasaccharide | |||||||||
Function / homology | metal ion binding / MALONATE ION / 3-OXOOCTANOIC ACID / Lectin Function and homology information | |||||||||
Biological species | Pholiota squarrosa (fungus) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | |||||||||
Authors | Cabanettes, A. / Varrot, A. | |||||||||
Citation | Journal: Angew. Chem. Int. Ed. Engl. / Year: 2018 Title: Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Authors: Cabanettes, A. / Perkams, L. / Spies, C. / Unverzagt, C. / Varrot, A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6fx1.cif.gz | 225.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6fx1.ent.gz | 191.2 KB | Display | PDB format |
PDBx/mmJSON format | 6fx1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6fx1_validation.pdf.gz | 4.9 MB | Display | wwPDB validaton report |
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Full document | 6fx1_full_validation.pdf.gz | 4.9 MB | Display | |
Data in XML | 6fx1_validation.xml.gz | 27.4 KB | Display | |
Data in CIF | 6fx1_validation.cif.gz | 39.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fx/6fx1 ftp://data.pdbj.org/pub/pdb/validation_reports/fx/6fx1 | HTTPS FTP |
-Related structure data
-Links
-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/peptide , 1 types, 12 molecules ABCDEFGHIJKL
#1: Protein/peptide | Mass: 4711.271 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pholiota squarrosa (fungus) / Plasmid: pet39a-TEV / Details (production host): pet39a-TEV-PhosL / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): star / References: UniProt: A0A3B6UEU4*PLUS |
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-Sugars , 5 types, 12 molecules
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine Type: oligosaccharide / Mass: 1123.029 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source #3: Polysaccharide | Type: oligosaccharide / Mass: 1488.363 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source #4: Polysaccharide | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine | Type: oligosaccharide / Mass: 919.836 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source #5: Polysaccharide | Type: oligosaccharide / Mass: 1285.170 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source #6: Polysaccharide | Type: oligosaccharide / Mass: 757.695 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source |
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-Non-polymers , 3 types, 329 molecules
#7: Chemical | ChemComp-MLI / #8: Chemical | ChemComp-OOA / | #9: Water | ChemComp-HOH / | |
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-Details
Has protein modification | Y |
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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: 2.27 Å3/Da / Density % sol: 45.78 % / Description: diamant |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / Details: 3.2 M Na malonate pH5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.9762 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 27, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9762 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→47.88 Å / Num. obs: 56993 / % possible obs: 99.9 % / Redundancy: 5.2 % / Rmerge(I) obs: 0.045 / Net I/σ(I): 18.6 |
Reflection shell | Resolution: 2.1→2.16 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.466 / Mean I/σ(I) obs: 3.2 / % possible all: 100 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PhosL Resolution: 2.1→47.88 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.947 / SU B: 7.229 / SU ML: 0.113 / Cross valid method: THROUGHOUT / ESU R: 0.153 / ESU R Free: 0.144 / 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: 40.71 Å2
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Refinement step | Cycle: 1 / Resolution: 2.1→47.88 Å
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Refine LS restraints |
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