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- PDB-6fx1: Crystal structure of Pholiota squarrosa lectin in complex with an... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6fx1 | |||||||||
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Title | Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide | |||||||||
![]() | lectin | |||||||||
![]() | SUGAR BINDING PROTEIN / lectin / octasaccharide | |||||||||
Function / homology | metal ion binding / MALONATE ION / 3-OXOOCTANOIC ACID / Lectin![]() | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Cabanettes, A. / Varrot, A. | |||||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 225.7 KB | Display | ![]() |
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PDB format | ![]() | 191.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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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.) ![]() ![]() ![]() |
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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: ![]() |
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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: ![]() ![]() ![]() |
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 |
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Processing
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Refinement | Method to determine structure: ![]() 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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