BMRB Entry 30932
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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/BMR30932
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Title: Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin PubMed: 35290019
Deposition date: 2021-07-02 Original release date: 2022-04-26
Authors: Cabalteja, C.; Horne, W.
Citation: Cabalteja, C.; Lin, Q.; Di, Y.; Horne, W.. "Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold" ACS Chem. Biol. 17, 987-997 (2022).
Assembly members:
entity_1, polymer, 28 residues, 2967.923 Da.
Natural source: Common Name: bees Taxonomy ID: 88510 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lasioglossum laticeps
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GLXRKXLCAXAKKKAKCKAA
XKLXCKCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 197 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 28 residues - 2967.923 Da.
| 1 | GLY | LEU | XCP | ARG | LYS | XCP | LEU | CYS | ALA | XCP | ||||
| 2 | ALA | LYS | B3K | LYS | DAL | B3K | CYS | B3K | DAL | ALA | ||||
| 3 | XCP | LYS | LEU | 1VR | CYS | LYS | CYS | NH2 |
Samples:
sample_1: entity_1 5.6 mM; DSS 0.2 mM
sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
NMRFAM-SPARKY, Lee, Tonelli and Markley - data analysis
ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 700 MHz