+Open data
-Basic information
Entry | Database: PDB / ID: 3cl2 | ||||||
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Title | N1 Neuraminidase N294S + Oseltamivir | ||||||
Components | Neuraminidase | ||||||
Keywords | VIRAL PROTEIN / HYDROLASE / N1 / Neuraminidase / N294S / Oseltamivir / Glycosidase / Membrane / Transmembrane / Virion | ||||||
Function / homology | Function and homology information exo-alpha-(2->3)-sialidase activity / exo-alpha-(2->6)-sialidase activity / exo-alpha-(2->8)-sialidase activity / exo-alpha-sialidase / viral budding from plasma membrane / carbohydrate metabolic process / host cell plasma membrane / virion membrane / membrane / identical protein binding / metal ion binding Similarity search - Function | ||||||
Biological species | Influenza A virus | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.538 Å | ||||||
Authors | Collins, P. / Haire, L.F. / Lin, Y.P. / Liu, J. / Russell, R.J. / Walker, P.A. / Skehel, J.J. / Martin, S.R. / Hay, A.J. / Gamblin, S.J. | ||||||
Citation | Journal: Nature / Year: 2008 Title: Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Authors: Collins, P.J. / Haire, L.F. / Lin, Y.P. / Liu, J. / Russell, R.J. / Walker, P.A. / Skehel, J.J. / Martin, S.R. / Hay, A.J. / Gamblin, S.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3cl2.cif.gz | 566 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3cl2.ent.gz | 485.4 KB | Display | PDB format |
PDBx/mmJSON format | 3cl2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cl/3cl2 ftp://data.pdbj.org/pub/pdb/validation_reports/cl/3cl2 | HTTPS FTP |
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-Related 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: 42157.891 Da / Num. of mol.: 8 / Fragment: UNP residues 63-447 / Mutation: N294S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Influenza A virus / Gene: NA / Production host: Influenza A virus / Strain (production host): WSN-NA (H1N1) / References: UniProt: Q6DPL2, exo-alpha-sialidase #2: Chemical | ChemComp-G39 / ( |
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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: 4.82 Å3/Da / Density % sol: 74.48 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 15% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.54 Å |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Jan 10, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.54→29.8 Å / Num. obs: 190670 / % possible obs: 91.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 2.6→2.7 Å / % possible all: 88.7 |
-Processing
Software |
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Refinement | Resolution: 2.538→29.853 Å / FOM work R set: 0.837 / σ(F): 0.02 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 13.87 Å2 / ksol: 0.35 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 0.41 Å2 / Biso mean: 17.05 Å2 / Biso min: 125.13 Å2
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Refinement step | Cycle: LAST / Resolution: 2.538→29.853 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: 30
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