BMRB Entry 52013
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52013
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Title: 1H, 15N, 13C assignments of Clovibactin in DMSO PubMed: 37611581
Deposition date: 2023-07-03 Original release date: 2023-08-09
Authors: Weingarth, Markus
Citation: Shukla, Rhythm; Peoples, Aaron; Ludwig, Kevin; Maity, Sourav; Derks, Maik; De Benedetti, Stefania; Krueger, Annika; Vermeulen, Bram; Harbig, Theresa; Lavore, Francesca; Kumar, Raj; Honorato, Rodrigo; Grein, Fabian; Nieselt, Kay; Liu, Yangping; Bonvin, Alexandre; Baldus, Marc; Kubitscheck, Ulrich; Breukink, Eefjan; Achorn, Catherine; Nitti, Anthony; Schwalen, Christopher; Spoering, Amy; Ling, Losee Lucy; Hughes, Dallas; Lelli, Moreno; Roos, Wouter; Lewis, Kim; Schneider, Tanja; Weingarth, Markus. "An antibiotic from an uncultured bacterium binds to an immutable target" Cell 186, 4059-4073 (2023).
Assembly members:
entity_1, polymer, 8 residues, 903.5298 Da.
Natural source: Common Name: Eleftheria terrae Taxonomy ID: 1597781 Superkingdom: Bacteria Kingdom: not available Genus/species: Eleftheria terrae
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
entity_1: FXXSXALL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 28 |
| 15N chemical shifts | 10 |
| 1H chemical shifts | 55 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | clovibactin | 1 |
Entities:
Entity 1, clovibactin 8 residues - 903.5298 Da.
| 1 | PHE | DLE | DLY | SER | AHB | ALA | LEU | LEU |
Samples:
sample_1: Clovibactin, [U-100% 13C; U-100% 15N], 17 mM; DMSO, [U-99% 2H], - -
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 1D 13C | 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 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.1.4 - collection
NMR spectrometers:
- Bruker Avance 500 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts