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Open data
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Basic information
| Entry | Database: PDB / ID: 3k38 | ||||||
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| Title | Crystal Structure of B/Perth Neuraminidase D197E mutant | ||||||
Components | Neuraminidase | ||||||
Keywords | HYDROLASE / INFLUENZA / NEURAMINIDASE / MUTATION / RESISTANCE / Cell membrane / Glycosidase / Membrane / Transmembrane / Virion | ||||||
| Function / homology | Function and homology informationexo-alpha-sialidase / exo-alpha-sialidase activity / carbohydrate metabolic process / host cell plasma membrane / virion membrane / metal ion binding / membrane Similarity search - Function | ||||||
| Biological species | Influenza B virus | ||||||
| Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.19 Å | ||||||
Authors | Oakley, A.J. / McKimm-Breschkin, J.L. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2010Title: Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses. Authors: Oakley, A.J. / Barrett, S. / Peat, T.S. / Newman, J. / Streltsov, V.A. / Waddington, L. / Saito, T. / Tashiro, M. / McKimm-Breschkin, J.L. | ||||||
| History |
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Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
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Downloads & links
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Download
| PDBx/mmCIF format | 3k38.cif.gz | 2.3 MB | Display | PDBx/mmCIF format |
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| PDB format | pdb3k38.ent.gz | 1.9 MB | Display | PDB format |
| PDBx/mmJSON format | 3k38.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Summary document | 3k38_validation.pdf.gz | 595.1 KB | Display | wwPDB validaton report |
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| Full document | 3k38_full_validation.pdf.gz | 657.2 KB | Display | |
| Data in XML | 3k38_validation.xml.gz | 220 KB | Display | |
| Data in CIF | 3k38_validation.cif.gz | 303.3 KB | Display | |
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/k3/3k38 ftp://data.pdbj.org/pub/pdb/validation_reports/k3/3k38 | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 3k36SC ![]() 3k37C ![]() 3k39C ![]() 3k3aC S: Starting model for refinement C: citing same article ( |
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| Similar structure data |
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Links
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Assembly
| Deposited unit | ![]()
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| Unit cell |
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| Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: PRO / Beg label comp-ID: PRO / End auth comp-ID: LEU / End label comp-ID: LEU / Refine code: 4 / Auth seq-ID: 78 - 466 / Label seq-ID: 9 - 397
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Components
-Protein / Sugars , 2 types, 32 molecules ABCDEFGHIJKLMNOP

| #1: Protein | Mass: 43838.863 Da / Num. of mol.: 16 / Fragment: UNP residues 70-466 / Mutation: D197E Source method: isolated from a genetically manipulated source Source: (gene. exp.) Influenza B virus / Strain: B/Perth/211/2001 / Plasmid: pFastBac / Production host: ![]() #2: Sugar | ChemComp-NAG / |
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-Non-polymers , 4 types, 1356 molecules 






| #3: Chemical | ChemComp-CA / #4: Chemical | ChemComp-SO4 / #5: Chemical | ChemComp-YT3 / #6: 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: 2.43 Å3/Da / Density % sol: 49.3 % |
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| Crystal grow | Temperature: 281.15 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 12-17% w/v PEG 3350, 0.2-0.3M Na2 SO4, 5mM YCl3, VAPOR DIFFUSION, SITTING DROP, temperature 281.15K, PH7 |
-Data collection
| Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||
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| Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.95364 Å | |||||||||||||||||||||||||||||||||||
| Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: May 22, 2008 / Details: BEAMLINE OPTICS | |||||||||||||||||||||||||||||||||||
| Radiation | Monochromator: BEAMLINE OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||
| Radiation wavelength | Wavelength: 0.95364 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||
| Reflection twin |
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| Reflection | Resolution: 2.19→61.78 Å / Num. all: 316772 / Num. obs: 316772 / % possible obs: 94.6 % / Observed criterion σ(F): -1 / Observed criterion σ(I): -1 / Redundancy: 2 % / Rmerge(I) obs: 0.102 / Net I/σ(I): 8.1 | |||||||||||||||||||||||||||||||||||
| Reflection shell | Resolution: 2.2→2.32 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.365 / Mean I/σ(I) obs: 2.6 / Num. unique all: 45355 / % possible all: 92.7 |
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Processing
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| Refinement | Method to determine structure: MOLECULAR REPLACEMENTStarting model: PDB ENTRY 3K36 Resolution: 2.19→61.78 Å / Cor.coef. Fo:Fc: 0.932 / Cor.coef. Fo:Fc free: 0.911 / SU B: 11.46 / SU ML: 0.128 / Cross valid method: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.043 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso mean: 13.721 Å2
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| Refinement step | Cycle: LAST / Resolution: 2.19→61.78 Å
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| Refine LS restraints |
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| Refine LS restraints NCS | Ens-ID: 1 / Number: 3067 / Refine-ID: X-RAY DIFFRACTION
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Influenza B virus
X-RAY DIFFRACTION
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