+Open data
-Basic information
Entry | Database: PDB / ID: 6wux | |||||||||
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Title | NMR soltution structure of homotarsinin homodimer - Htr | |||||||||
Components | Homotarsinin | |||||||||
Keywords | ANTIMICROBIAL PROTEIN / antmicrobial peptide | |||||||||
Function / homology | defense response to bacterium / extracellular region / Homotarsinin Function and homology information | |||||||||
Biological species | Phyllomedusa tarsius (brownbelly leaf frog) | |||||||||
Method | SOLUTION NMR / simulated annealing | |||||||||
Authors | Verly, R.M. | |||||||||
Funding support | Brazil, 2items
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Citation | Journal: Sci Rep / Year: 2017 Title: Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin. Authors: Verly, R.M. / Resende, J.M. / Junior, E.F. / de Magalhaes, M.T. / Guimaraes, C.F. / Munhoz, V.H. / Bemquerer, M.P. / Almeida, F.C. / Santoro, M.M. / Pilo-Veloso, D. / Bechinger, B. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6wux.cif.gz | 324.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6wux.ent.gz | 279.4 KB | Display | PDB format |
PDBx/mmJSON format | 6wux.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6wux_validation.pdf.gz | 374.3 KB | Display | wwPDB validaton report |
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Full document | 6wux_full_validation.pdf.gz | 624 KB | Display | |
Data in XML | 6wux_validation.xml.gz | 24.1 KB | Display | |
Data in CIF | 6wux_validation.cif.gz | 37.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wu/6wux ftp://data.pdbj.org/pub/pdb/validation_reports/wu/6wux | HTTPS FTP |
-Related structure data
Related structure data | 7mn3C C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 2759.427 Da / Num. of mol.: 2 / Source method: obtained synthetically Source: (synth.) Phyllomedusa tarsius (brownbelly leaf frog) References: UniProt: P84337 Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution / Contents: 1 mM Homotarsinin - Htr, trifluoroethanol/water Details: Htr at 1.0 mM in 20 mM, pH 7.0, phosphate buffer containing 5% TFE-d2 Label: natural abundance / Solvent system: trifluoroethanol/water |
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Sample | Conc.: 1 mM / Component: Homotarsinin - Htr / Isotopic labeling: natural abundance |
Sample conditions | Details: Htr at 1.0 mM in 20 mM, pH 7.0, phosphate buffer containing 5% TFE-d2 Ionic strength: 0 Not defined / Label: trifluoroethanol/water / pH: 7.0 pH* / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 800 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 |