+Open data
-Basic information
Entry | Database: PDB / ID: 2nau | ||||||
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Title | Solution structure of KYE28A in lipopolysachharide | ||||||
Components | entity | ||||||
Keywords | ANTIMICROBIAL PROTEIN / antimicrobial peptide mutant | ||||||
Biological species | synthetic construct (others) | ||||||
Method | SOLUTION NMR / distance geometry | ||||||
Model details | lowest energy, model1 | ||||||
Authors | Bhunia, A. / Malmsten, M. / Datta, A. | ||||||
Citation | Journal: J. Biol. Chem. / Year: 2016 Title: Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control. Authors: Datta, A. / Bhattacharyya, D. / Singh, S. / Ghosh, A. / Schmidtchen, A. / Malmsten, M. / Bhunia, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2nau.cif.gz | 219 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2nau.ent.gz | 187.6 KB | Display | PDB format |
PDBx/mmJSON format | 2nau.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/na/2nau ftp://data.pdbj.org/pub/pdb/validation_reports/na/2nau | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3283.855 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1mM entity-1, 1mM TSP-2, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O | |||||||||
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Sample |
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Sample conditions | Ionic strength: 0 / pH: 4.5 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker Ascend TM / Manufacturer: Bruker / Model: Ascend TM / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: distance geometry / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 / Representative conformer: 1 |