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Yorodumi- PDB-6h9z: Molecular bases of histo-blood group antigen recognition by the m... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6h9z | ||||||
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Title | Molecular bases of histo-blood group antigen recognition by the most common human rotavirus | ||||||
Components | Outer capsid protein VP4 | ||||||
Keywords | VIRAL PROTEIN / histo-blood group antigen rotavirus | ||||||
Function / homology | Function and homology information viral capsid / symbiont entry into host cell / virion attachment to host cell Similarity search - Function | ||||||
Biological species | Rotavirus A | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.51 Å | ||||||
Authors | Ciges-Tomas, J.R. / Gozalbo-Rovira, R. / Vila-Vicent, S. / Buesa, J. / Santiso-Bellon, C. / Monedero, V. / Yebra, M.J. / Rodriguez-Diaz, J. / Marina, A. | ||||||
Funding support | Spain, 1items
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Citation | Journal: Plos Pathog. / Year: 2019 Title: Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Authors: Gozalbo-Rovira, R. / Ciges-Tomas, J.R. / Vila-Vicent, S. / Buesa, J. / Santiso-Bellon, C. / Monedero, V. / Yebra, M.J. / Marina, A. / Rodriguez-Diaz, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6h9z.cif.gz | 92.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6h9z.ent.gz | 69.2 KB | Display | PDB format |
PDBx/mmJSON format | 6h9z.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h9/6h9z ftp://data.pdbj.org/pub/pdb/validation_reports/h9/6h9z | HTTPS FTP |
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-Related structure data
Related structure data | 6h9wSC 6h9yC 6ha0C S: Starting model for refinement C: citing same article (ref.) |
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Similar 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: 18550.332 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: G1 and S2 are residual from tag digestion / Source: (gene. exp.) Rotavirus A / Gene: VP4 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0S0VKY7 #2: Chemical | #3: Chemical | ChemComp-SO4 / | #4: Water | ChemComp-HOH / | |
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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: 2.93 Å3/Da / Density % sol: 58.01 % |
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Crystal grow | Temperature: 294.15 K / Method: vapor diffusion, sitting drop / Details: 25% PEG3350 0.1M Bis-Tris pH5.5 |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ALBA / Beamline: XALOC / Wavelength: 0.97907 Å | ||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 7, 2017 | ||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97907 Å / Relative weight: 1 | ||||||||||||||||||||||||
Reflection | Resolution: 1.51→104.01 Å / Num. obs: 68175 / % possible obs: 99.8 % / Redundancy: 7.1 % / CC1/2: 0.996 / Rmerge(I) obs: 0.128 / Rpim(I) all: 0.051 / Rrim(I) all: 0.138 / Net I/σ(I): 10.2 / Num. measured all: 483220 | ||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6H9W Resolution: 1.51→62.27 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.949 / SU B: 1.284 / SU ML: 0.047 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.066 / ESU R Free: 0.07 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 78.08 Å2 / Biso mean: 17.6 Å2 / Biso min: 8.57 Å2
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Refinement step | Cycle: final / Resolution: 1.51→62.27 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.513→1.552 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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