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Yorodumi- PDB-4qkl: Influenza A M2 wild type TM domain at high pH in the lipidic cubi... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4qkl | ||||||
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Title | Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under room temperature diffraction conditions | ||||||
Components | influenza M2 monomer, TM domain (22-46) | ||||||
Keywords | VIRAL PROTEIN / transmembrane alpha helix / pH-activated proton channel | ||||||
Function / homology | Function and homology information suppression by virus of host autophagy / proton transmembrane transporter activity / : / protein complex oligomerization / monoatomic ion channel activity / host cell plasma membrane / virion membrane / membrane / identical protein binding Similarity search - Function | ||||||
Biological species | Influenza A virus | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.711 Å | ||||||
Authors | Thomaston, J.L. / DeGrado, W.F. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2015 Title: High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Authors: Thomaston, J.L. / Alfonso-Prieto, M. / Woldeyes, R.A. / Fraser, J.S. / Klein, M.L. / Fiorin, G. / DeGrado, W.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4qkl.cif.gz | 24.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4qkl.ent.gz | 16.8 KB | Display | PDB format |
PDBx/mmJSON format | 4qkl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qk/4qkl ftp://data.pdbj.org/pub/pdb/validation_reports/qk/4qkl | HTTPS FTP |
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-Related structure data
Related structure data | 4qk7C 4qkcC 4qkmC 3c9jS 4qk6 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/peptide | Mass: 2754.340 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: This sequence is found in the influenza A virus (strain A/Udorn/307/1972 H3N2) and was manually synthesized using Fmoc chemistry. N- and C-terminal modifications are present. Source: (synth.) Influenza A virus / References: UniProt: W8PGZ1, UniProt: P0DOF5*PLUS | ||||
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#2: Chemical | ChemComp-CL / | ||||
#3: Chemical | #4: Chemical | ChemComp-EDO / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.71 Å3/Da / Density % sol: 54.6 % |
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Crystal grow | Temperature: 293 K / Method: lcp sandwich plates / pH: 8 Details: 1.8 M calcium chloride, 0.9 M Tris HCl pH 8.0, 39.6% v/v PEG 400, 3% w/v xylitol additive, LCP sandwich plates, temperature 293K |
-Data collection
Diffraction | Mean temperature: 273 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.115869 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 14, 2013 |
Radiation | Monochromator: Double flat crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.115869 Å / Relative weight: 1 |
Reflection | Resolution: 1.71→27.15 Å / Num. all: 3201 / Num. obs: 3128 / % possible obs: 97.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 1.5 / Redundancy: 2.4 % / Biso Wilson estimate: 18.65 Å2 / Rmerge(I) obs: 0.158 / Net I/σ(I): 3.6 |
Reflection shell | Resolution: 1.71→1.77 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.47 / Mean I/σ(I) obs: 1.6 / Num. unique all: 317 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: chain A of 3C9J Resolution: 1.711→20.93 Å / SU ML: 0.14 / σ(F): 1.34 / Phase error: 20.73 / 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 | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.711→20.93 Å
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Refine LS restraints |
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LS refinement shell |
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