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Open data
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Basic information
Entry | Database: PDB / ID: 4qn7 | |||||||||
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Title | Crystal structure of neuramnidase N7 complexed with Oseltamivir | |||||||||
![]() | Neuraminidase | |||||||||
![]() | HYDROLASE / 6-BLADED BETA-PROPELLER / CALCIUM BINDING / GLYCOSYLATION | |||||||||
Function / homology | ![]() 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 / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Sun, X. / Li, Q. / Wu, Y. / Liu, Y. / Qi, J. / Vavricka, C.J. / Gao, G.F. | |||||||||
![]() | ![]() Title: Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle. Authors: Sun, X. / Li, Q. / Wu, Y. / Wang, M. / Liu, Y. / Qi, J. / Vavricka, C.J. / Gao, G.F. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 327.1 KB | Display | ![]() |
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PDB format | ![]() | 267.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4qn3C ![]() 4qn4C ![]() 4qn5C ![]() 4qn6C ![]() 1nn2S C: citing same article ( S: Starting model for refinement |
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Similar 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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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 42955.070 Da / Num. of mol.: 2 / Fragment: UNP residues 81-470 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: NA / Production host: ![]() ![]() |
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-Sugars , 3 types, 6 molecules ![](data/chem/img/NAG.gif)
#2: Polysaccharide | Source method: isolated from a genetically manipulated source #3: Polysaccharide | Source method: isolated from a genetically manipulated source #5: Sugar | |
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-Non-polymers , 3 types, 467 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/G39.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/G39.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #6: Chemical | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.95 % |
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Crystal grow | Temperature: 291 K / Method: evaporation / pH: 4.5 Details: 0.1M calcium acetate, 0.1M sodium acetate, 10%(w/v) polyethylene glycol 4000, pH 4.5, EVAPORATION, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 4, 2013 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / Num. all: 37039 / Num. obs: 37039 / % possible obs: 99.77 % / Observed criterion σ(F): 1.5 / Observed criterion σ(I): 2 |
Reflection shell | Resolution: 2.3→2.38 Å / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1NN2 Resolution: 2.302→41.892 Å / FOM work R set: 0.8567 / SU ML: 0.2 / σ(F): 1.35 / Phase error: 20.62 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 77.23 Å2 / Biso mean: 25.58 Å2 / Biso min: 10.41 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.302→41.892 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: 13
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Refinement TLS params. | Method: refined / Origin x: 17.4248 Å / Origin y: 99.7902 Å / Origin z: 152.7126 Å
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Refinement TLS group | Selection details: ALL |