+Open data
-Basic information
Entry | Database: PDB / ID: 6fs4 | ||||||
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Title | NMR structure of Casocidin-II antimicrobial peptide in 60% TFE | ||||||
Components | Alpha-S2-casein | ||||||
Keywords | ANTIMICROBIAL PROTEIN / Antimicrobial peptide / TFE | ||||||
Function / homology | Function and homology information response to dehydroepiandrosterone / response to 11-deoxycorticosterone / zymogen binding / response to growth hormone / response to progesterone / Golgi lumen / response to estradiol / defense response to bacterium / Golgi apparatus / protein homodimerization activity / extracellular space Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Mercurio, F.A. / Leone, M. | ||||||
Citation | Journal: Peptides / Year: 2019 Title: The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments. Authors: Mercurio, F.A. / Scaloni, A. / Caira, S. / Leone, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6fs4.cif.gz | 254.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6fs4.ent.gz | 219.7 KB | Display | PDB format |
PDBx/mmJSON format | 6fs4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fs/6fs4 ftp://data.pdbj.org/pub/pdb/validation_reports/fs/6fs4 | HTTPS FTP |
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-Related structure data
Related structure data | 6fs5C 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: 3864.535 Da / Num. of mol.: 1 / Fragment: Residues 166-196 / Source method: obtained synthetically / Source: (synth.) Bos taurus (cattle) / References: UniProt: P02663 |
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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: 1.2 mM Casocidin II, trifluoroethanol/water / Label: TFE60 / Solvent system: trifluoroethanol/water |
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Sample | Conc.: 1.2 mM / Component: Casocidin II / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: null Not defined / Label: condition_1 / pH: 2.8 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 600 MHz / Details: Cold probe |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 2 | ||||||||||||||||
NMR representative | Selection criteria: target function | ||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20 |