BMRB Entry 18418
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18418
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Title: Pleurocidin-NH2
Deposition date: 2012-04-24 Original release date: 2013-04-01
Authors: Vermeer, Louic; Kozlowska, Justyna; Mason, James
Citation: Vermeer, Louic; Kozlowska, Justyna; Lorenz, Chris; Mason, James. "All Atom Simulations of the Initial Binding of Magainin and Pleurocidin to Membranes Comprising of a Mixture of Anionic and Zwitterionic Lipids" Not known ., .-..
Assembly members:
pleurocidin, polymer, 25 residues, 2718.215 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
pleurocidin: GWGSFFKKAAHVGKHVGKAA
LTHYL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 142 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | pleurocidin | 1 |
Entities:
Entity 1, pleurocidin 25 residues - 2718.215 Da.
| 1 | GLY | TRP | GLY | SER | PHE | PHE | LYS | LYS | ALA | ALA | ||||
| 2 | HIS | VAL | GLY | LYS | HIS | VAL | GLY | LYS | ALA | ALA | ||||
| 3 | LEU | THR | HIS | TYR | LEU |
Samples:
sample_1: TRIS 5 mM; pleurocidin 1 mM; SDS, [U-2H], 100 mM; TSP 0.05%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 5 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
ARIA, Linge, O, . - refinement, structure solution
ProcheckNMR, Laskowski and MacArthur - data analysis
AQUA, Rullmann, Doreleijers and Kaptein - data analysis
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 500 MHz