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Yorodumi- PDB-4cqw: H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin in Complex with ... -
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Open data
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Basic information
| Entry | Database: PDB / ID: 4cqw | |||||||||
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| Title | H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin in Complex with Avian Receptor Analogue 3'SLN | |||||||||
 Components | (HAEMAGGLUTININ ...) x 2 | |||||||||
 Keywords | VIRAL PROTEIN / HAEMAGGLUTININ / SIALIC ACID / GLYCOPROTEIN / VIRUS RECEPTOR / AVIAN FLU / SIALYLLACTOSAMINE / 3SLN / 3'SLN / 6SLN / 6'SLN / LSTA | |||||||||
| Function / homology |  Function and homology informationviral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / 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 / virion membrane / membrane Similarity search - Function  | |||||||||
| Biological species | ![]()  INFLUENZA A VIRUS | |||||||||
| Method |  X-RAY DIFFRACTION /  SYNCHROTRON /  MOLECULAR REPLACEMENT / Resolution: 2.3 Å  | |||||||||
 Authors | Xiong, X. / Xiao, H. / Martin, S.R. / Coombs, P.J. / Liu, J. / Collins, P.J. / Vachieri, S.G. / Walker, P.A. / Lin, Y.P. / McCauley, J.W. ...Xiong, X. / Xiao, H. / Martin, S.R. / Coombs, P.J. / Liu, J. / Collins, P.J. / Vachieri, S.G. / Walker, P.A. / Lin, Y.P. / McCauley, J.W. / Gamblin, S.J. / Skehel, J.J. | |||||||||
 Citation |  Journal: Virology / Year: 2014Title: Enhanced Human Receptor Binding by H5 Haemagglutinins. Authors: Xiong, X. / Xiao, H. / Martin, S.R. / Coombs, P.J. / Liu, J. / Collins, P.J. / Vachieri, S.G. / Walker, P.A. / Lin, Y.P. / Mccauley, J.W. / Gamblin, S.J. / Skehel, J.J.  | |||||||||
| 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 |  4cqw.cif.gz | 610.3 KB | Display |  PDBx/mmCIF format | 
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| PDB format |  pdb4cqw.ent.gz | 509.9 KB | Display |  PDB format | 
| PDBx/mmJSON format |  4cqw.json.gz | Tree view |  PDBx/mmJSON format | |
| Others |  Other downloads | 
-Validation report
| Summary document |  4cqw_validation.pdf.gz | 1.4 MB | Display |  wwPDB validaton report | 
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| Full document |  4cqw_full_validation.pdf.gz | 1.4 MB | Display | |
| Data in XML |  4cqw_validation.xml.gz | 61.7 KB | Display | |
| Data in CIF |  4cqw_validation.cif.gz | 87.2 KB | Display | |
| Arichive directory |  https://data.pdbj.org/pub/pdb/validation_reports/cq/4cqw ftp://data.pdbj.org/pub/pdb/validation_reports/cq/4cqw | HTTPS FTP  | 
-Related structure data
| Related structure data | ![]() 4cqpC ![]() 4cqqC ![]() 4cqrC ![]() 4cqsC ![]() 4cquC ![]() 4cqvC ![]() 4cqxC ![]() 4cqyC ![]() 4cqzC ![]() 4cr0C ![]() 5ajmC ![]() 4bgzS 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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| Unit cell | 
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Components
-HAEMAGGLUTININ  ... , 2 types, 6 molecules ACEBDF     
| #1: Protein | Mass: 37010.672 Da / Num. of mol.: 3 Fragment: HA1 OF TRYPSIN RELEASED ECTODOMAIN, RESIDUES 17-342 Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.)  INFLUENZA A VIRUS (A/TURKEY/TURKEY/1/2005(H5N1))Variant: DEL133/ILE155THR MUTANT / Plasmid: PACGP67A / Cell line (production host): SF9 / Production host: ![]() #2: Protein | Mass: 19126.004 Da / Num. of mol.: 3 Fragment: HA2 OF TRYPSIN RELEASED ECTODOMAIN, RESIDUES 347-512 Source method: isolated from a genetically manipulated source Source: (gene. exp.)  INFLUENZA A VIRUS (A/TURKEY/TURKEY/1/2005(H5N1))Variant: DEL133/ILE155THR MUTANT / Plasmid: PACGP67A / Cell line (production host): SF9 / Production host: ![]()  | 
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-Sugars , 2 types, 12 molecules 
| #3: Polysaccharide | | #4: Sugar | ChemComp-NAG /  | 
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-Non-polymers , 2 types, 805 molecules 


| #5: Chemical |  ChemComp-PO4 /  | 
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| #6: Water |  ChemComp-HOH /  | 
-Details
| Has protein modification | Y | 
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| Sequence details | MULTIBASIC | 
-Experimental details
-Experiment
| Experiment | Method:  X-RAY DIFFRACTION / Number of used crystals: 1  | 
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Sample preparation
| Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45 % / Description: NONE | 
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| Crystal grow | Details: BIS-TRIS PROPANE PH 7.5, 0.05 - 0.15 M K/NAPO4 (PH 7.0), 15-18% PEG 3350 | 
-Data collection
| Diffraction | Mean temperature: 100 K | 
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| Diffraction source | Source:  SYNCHROTRON / Site:  Diamond   / Beamline: I04-1 / Wavelength: 0.92  | 
| Detector | Type: ADSC CCD / Detector: CCD | 
| Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | 
| Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 | 
| Reflection | Resolution: 2.3→101.06 Å / Num. obs: 89337 / % possible obs: 98.3 % / Observed criterion σ(I): 2 / Redundancy: 3.5 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 11.9 | 
| Reflection shell | Resolution: 2.3→2.42 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.66 / Mean I/σ(I) obs: 2 / % possible all: 98.7 | 
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Processing
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| Refinement | Method to determine structure:  MOLECULAR REPLACEMENTStarting model: PDB ENTRY 4BGZ Resolution: 2.3→101.06 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.925 / SU B: 14.606 / SU ML: 0.185 / Cross valid method: THROUGHOUT / ESU R: 0.281 / ESU R Free: 0.217 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED 
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso  mean: 50.713 Å2
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| Refinement step | Cycle: LAST / Resolution: 2.3→101.06 Å
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| Refine LS restraints | 
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INFLUENZA A VIRUS
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