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Yorodumi- PDB-2k98: Helical hairpin structure of potent antimicrobial peptide MSI-594... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2k98 | ||||||
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Title | Helical hairpin structure of potent antimicrobial peptide MSI-594 in the presence of Lipopolysaccharide micelle | ||||||
Components | MSI-594 | ||||||
Keywords | ANTIMICROBIAL PROTEIN / MSI-594 / LPS / trNOE / antimicrobial peptide | ||||||
Method | SOLUTION NMR / DGSA-distance geometry simulated annealing | ||||||
Authors | Bhunia, A. / Bhattacharjya, S. / Ramamoorthy, A. | ||||||
Citation | Journal: Chemistry / Year: 2009 Title: Helical Hairpin Structure of a Potent Antimicrobial Peptide MSI-594 in Lipopolysaccharide Micelles by NMR Spectroscopy Authors: Bhunia, A. / Ramamoorthy, A. / Bhattacharjya, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2k98.cif.gz | 169.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2k98.ent.gz | 119.2 KB | Display | PDB format |
PDBx/mmJSON format | 2k98.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2k98_validation.pdf.gz | 339.3 KB | Display | wwPDB validaton report |
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Full document | 2k98_full_validation.pdf.gz | 444.5 KB | Display | |
Data in XML | 2k98_validation.xml.gz | 8.3 KB | Display | |
Data in CIF | 2k98_validation.cif.gz | 13 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/k9/2k98 ftp://data.pdbj.org/pub/pdb/validation_reports/k9/2k98 | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 2447.098 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Standard F-moc solid phase peptide synthesis |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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NMR details | Text: The structure was determined using tr-NOE data |
-Sample preparation
Details | Contents: 0.5mM MSI-594, 0.13mg/mL LPS, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O | |||||||||
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Sample |
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Sample conditions | pH: 4.5 / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 600 MHz |
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-Processing
NMR software | Name: DYANA / Version: 1.5 / Developer: Guntert, Braun and Wuthrich / Classification: refinement |
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Refinement | Method: DGSA-distance geometry simulated annealing / 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 |