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Yorodumi- PDB-4lkk: The structure of hemagglutinin L226Q mutant (H3 numbering) from a... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4lkk | |||||||||
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Title | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN | |||||||||
Components | (hemagglutinin) x 2 | |||||||||
Keywords | VIRAL PROTEIN / homotrimer / virus attachment / membrane fusion | |||||||||
Function / homology | Function and homology information clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane Similarity search - Function | |||||||||
Biological species | Influenza A virus | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.491 Å | |||||||||
Authors | Shi, Y. / Zhang, W. / Wang, F. / Qi, J. / Song, H. / Wu, Y. / Gao, F. / Zhang, Y. / Fan, Z. / Gong, W. ...Shi, Y. / Zhang, W. / Wang, F. / Qi, J. / Song, H. / Wu, Y. / Gao, F. / Zhang, Y. / Fan, Z. / Gong, W. / Wang, D. / Shu, Y. / Wang, Y. / Yan, J. / Gao, G.F. | |||||||||
Citation | Journal: Science / Year: 2013 Title: Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Authors: Shi, Y. / Zhang, W. / Wang, F. / Qi, J. / Wu, Y. / Song, H. / Gao, F. / Bi, Y. / Zhang, Y. / Fan, Z. / Qin, C. / Sun, H. / Liu, J. / Haywood, J. / Liu, W. / Gong, W. / Wang, D. / Shu, Y. / ...Authors: Shi, Y. / Zhang, W. / Wang, F. / Qi, J. / Wu, Y. / Song, H. / Gao, F. / Bi, Y. / Zhang, Y. / Fan, Z. / Qin, C. / Sun, H. / Liu, J. / Haywood, J. / Liu, W. / Gong, W. / Wang, D. / Shu, Y. / Wang, Y. / Yan, J. / Gao, G.F. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4lkk.cif.gz | 214.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4lkk.ent.gz | 169.8 KB | Display | PDB format |
PDBx/mmJSON format | 4lkk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4lkk_validation.pdf.gz | 808.3 KB | Display | wwPDB validaton report |
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Full document | 4lkk_full_validation.pdf.gz | 817.1 KB | Display | |
Data in XML | 4lkk_validation.xml.gz | 21.5 KB | Display | |
Data in CIF | 4lkk_validation.cif.gz | 28.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lk/4lkk ftp://data.pdbj.org/pub/pdb/validation_reports/lk/4lkk | HTTPS FTP |
-Related structure data
Related structure data | 4kolC 4komC 4konC 4lcxC 4lkgC 4lkhC 4lkiC 4lkjC 4dj6S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 34210.562 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Influenza A virus / Strain: A/Anhui/1/2013 / Plasmid: pFastbac1 / Cell line (production host): HI5 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: V5IRV5*PLUS | ||||
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#2: Protein | Mass: 19433.254 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Influenza A virus / Strain: A/Anhui/1/2013 / Plasmid: pFastbac1 / Cell line (production host): HI5 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: V5IRV2*PLUS | ||||
#3: Polysaccharide | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose Source method: isolated from a genetically manipulated source | ||||
#4: Sugar | #5: Water | ChemComp-HOH / | Sequence details | THE SEQUENCE DATABASE REFERENCES FOR THIS PROTEIN WHICH DERIVED FROM STRAIN A/ANHUI/1/2013 DOES NOT ...THE SEQUENCE DATABASE REFERENCES | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.66 Å3/Da / Density % sol: 66.43 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 16%(w/v) Polyethylene glycol 3350, 0.2M lithium sulfate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 28, 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: 2.491→50 Å / Num. all: 27839 / Num. obs: 27271 / % possible obs: 98 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Biso Wilson estimate: 56.96 Å2 |
Reflection shell | Resolution: 2.5→2.59 Å / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4DJ6 Resolution: 2.491→48.013 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.7839 / SU ML: 0.41 / σ(F): 1.34 / Phase error: 28.04 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.98 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 43.365 Å2 / ksol: 0.297 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 180.79 Å2 / Biso mean: 75.3171 Å2 / Biso min: 30.79 Å2
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Refinement step | Cycle: LAST / Resolution: 2.491→48.013 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: 10
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Refinement TLS params. | Method: refined / Origin x: -15.8159 Å / Origin y: 3.9028 Å / Origin z: 56.8673 Å
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Refinement TLS group | Selection details: ALL |