BMRB Entry 30650
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30650
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Alves, E.; Rodrigues, L.; Liao, L.. "NMR STRUCTURE OF THE ANTIMICROBIAL PEPTIDE ISOLATED FROM THE VENOM OF WASP Synoeca Surinama." .
Assembly members:
entity_1, polymer, 14 residues, 1600.021 Da.
Natural source: Common Name: Synoeca surinama Taxonomy ID: 1620924 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Synoeca surinama
Experimental source: Production method: na
Entity Sequences (FASTA):
entity_1: INWLKLGKKIIASL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 42 |
| 1H chemical shifts | 112 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 14 residues - 1600.021 Da.
| 1 | ILE | ASN | TRP | LEU | LYS | LEU | GLY | LYS | LYS | ILE | ||||
| 2 | ILE | ALA | SER | LEU |
Samples:
sample_1: synoeca 1 mM; SDS-D25, [U-98% 2H], 100 mM; DSS, [U-98% 2H], 5 % v/v; H2O 90 % v/v; D2O, [U-99% 2H], 10%
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker Avance 500 MHz