BMRB Entry 25846
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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/BMR25846
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
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Citation: Pillong, Max. "Rational design of nature-inspired membranolytic peptides" .
Assembly members:
entity, polymer, 21 residues, 2249.744 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):
entity: WDPYFAGVKKLTKAILAVRA
X
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 152 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 21 residues - 2249.744 Da.
| 1 | TRP | ASP | PRO | TYR | PHE | ALA | GLY | VAL | LYS | LYS | ||||
| 2 | LEU | THR | LYS | ALA | ILE | LEU | ALA | VAL | ARG | ALA | ||||
| 3 | NH2 |
Samples:
sample_1: Lavracin 8.9 uM
sample_conditions_1: ionic strength: 100 mM; pH: 4.1; pressure: 1 atm; temperature: 291 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v12, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure solution
ATNOSCANDID, Herrmann, Guntert and Wuthrich - peak picking
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz