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- PDB-7zin: JC Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7zin | ||||||
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Title | JC Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromolecules (aliphatic linker) | ||||||
![]() | Major capsid protein VP1 | ||||||
![]() | VIRAL PROTEIN / Complex / Sialic acid / Capsid protein | ||||||
Function / homology | ![]() T=7 icosahedral viral capsid / clathrin-dependent endocytosis of virus by host cell / host cell nucleus / virion attachment to host cell / structural molecule activity Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Freytag, J. / Mueller, J.C. / Stehle, T. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins. Authors: Konietzny, P.B. / Freytag, J. / Feldhof, M.I. / Muller, J.C. / Ohl, D. / Stehle, T. / Hartmann, L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 322.6 KB | Display | ![]() |
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PDB format | ![]() | Display | ![]() | |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 631.3 KB | Display | ![]() |
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Full document | ![]() | 635.8 KB | Display | |
Data in XML | ![]() | 27.3 KB | Display | |
Data in CIF | ![]() | 49.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7zilC ![]() 7zimC ![]() 7zioC ![]() 7zipC ![]() 7ziqC ![]() 3nxdS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 30075.861 Da / Num. of mol.: 5 / Fragment: UNP residues 23-290 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Polysaccharide | #3: Polysaccharide | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | #4: Chemical | ChemComp-EDO / #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.9 Å3/Da / Density % sol: 57.6 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.1 M HEPES pH 7.5, 0.2 M KSCN, 12% (w/v) PEG 3350 |
-Data collection
Diffraction | Mean temperature: 93 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Dec 12, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.99 Å / Relative weight: 1 |
Reflection | Resolution: 1.648→45 Å / Num. obs: 204346 / % possible obs: 98.8 % / Redundancy: 6.85 % / CC1/2: 0.99 / Rrim(I) all: 0.15 / Net I/σ(I): 10.69 |
Reflection shell | Resolution: 1.65→1.75 Å / Mean I/σ(I) obs: 1.31 / Num. unique obs: 32369 / CC1/2: 0.59 / Rrim(I) all: 1.41 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3NXD Resolution: 1.648→44.855 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.959 / SU B: 2.171 / SU ML: 0.067 / Cross valid method: FREE R-VALUE / ESU R: 0.079 / ESU R Free: 0.079 Details: Hydrogens have been added in their 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 BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.712 Å2
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Refinement step | Cycle: LAST / Resolution: 1.648→44.855 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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