+Open data
-Basic information
Entry | Database: PDB / ID: 2keg | ||||||
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Title | NMR structure of Plantaricin K in DPC-micelles | ||||||
Components | PlnK | ||||||
Keywords | ANTIMICROBIAL PROTEIN / Protein | ||||||
Function / homology | Bacteriocin Function and homology information | ||||||
Biological species | Lactobacillus plantarum (bacteria) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Rogne, P. / Haugen, M. / Fimland, G. / Nissen-Meyer, J. / Kristiansen, P. | ||||||
Citation | Journal: Peptides / Year: 2009 Title: Three-dimensional structure of the two-peptide bacteriocin plantaricin JK. Authors: Rogne, P. / Haugen, C. / Fimland, G. / Nissen-Meyer, J. / Kristiansen, P.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2keg.cif.gz | 224.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2keg.ent.gz | 189.5 KB | Display | PDB format |
PDBx/mmJSON format | 2keg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ke/2keg ftp://data.pdbj.org/pub/pdb/validation_reports/ke/2keg | 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: 3509.958 Da / Num. of mol.: 1 / Fragment: bacteriocin peptide K / Source method: obtained synthetically / Source: (synth.) Lactobacillus plantarum (bacteria) / References: UniProt: P71460 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR / Details: Part of two-peptide bacteriocin Plantaricin JK | ||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1 mM PlnK-1, 170 mM [U-99% 2H] DPC-2, 0.1 % TFA-3, 10 % D2O-4, 0.2 mM DSS-5, 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: 2.5 / Pressure: ambient / Temperature: 312 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||||||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 408 / NOE intraresidue total count: 99 / NOE long range total count: 0 / NOE medium range total count: 153 / NOE sequential total count: 156 | ||||||||||||||||||||||||||||||||||||||||||||
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 / Maximum upper distance constraint violation: 0.12 Å |