BMRB Entry 18420
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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/BMR18420
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Title: magainin
Deposition date: 2012-04-24 Original release date: 2013-04-01
Authors: Vermeer, Louic; 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 a Mixture of Anionic and Zwitterionic Lipids" Not known ., .-..
Assembly members:
magainin, polymer, 23 residues, 2471.959 Da.
Natural source: Common Name: African clawed frog Taxonomy ID: 8355 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Xenopus laevis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
magainin: GIGKFLHSAKKFGKAFVGEI
MNS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 53 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | magainin | 1 |
Entities:
Entity 1, magainin 23 residues - 2471.959 Da.
| 1 | GLY | ILE | GLY | LYS | PHE | LEU | HIS | SER | ALA | LYS | ||||
| 2 | LYS | PHE | GLY | LYS | ALA | PHE | VAL | GLY | GLU | ILE | ||||
| 3 | MET | ASN | SER |
Samples:
sample_1: magainin 1 mM; TRIS 5 mM; TSP 0.05%; SDS, [U-2H], 100 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 105 mM; pH: 7.2; 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
AQUA, Rullmann, Doreleijers and Kaptein - data analysis
SPARKY, Goddard - chemical shift assignment, peak picking
ProcheckNMR, Laskowski and MacArthur - data analysis
ARIA, Linge, O, . - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| PDB |