BMRB Entry 15515
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15515
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Citation: Scott, W.; Baek, S.; Jung, D.; Hancock, R.; Straus, S.. "NMR structural studies of the antibiotic lipopeptide daptomycin in DHPC micelles" Biochim. Biophys. Acta 1768, 3116-3126 (2007).
PubMed: 17945184
Assembly members:
DAPTOMYCIN, polymer, 14 residues, 1639.711 Da.
CA, non-polymer, Formula weight is not available
Natural source: Common Name: Streptomyces roseosporus Taxonomy ID: 67294 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces roseosporus
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
DAPTOMYCIN: XWXDTGXDXDGXXX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 62 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DAPTOMYCIN | 1 |
| 2 | CALCIUM ION | 2 |
Entities:
Entity 1, DAPTOMYCIN 14 residues - 1639.711 Da.
| 1 | DKA | TRP | DSG | ASP | THR | GLY | ORN | ASP | DAL | ASP | ||||
| 2 | GLY | DSN | MEG | KYN |
Entity 2, CALCIUM ION - Formula weight is not available
| 1 | CA |
Samples:
sample_1: DAPTOMYCIN 2.0 mM; CACL2 5.0 mM; KCL 100 mM; DHPC-d40 100 mM; EDTA 0.2 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.7; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.0, Bruker Biospin - chemical shift assignment, structure solution
GROMOS vGROMOS96, van Gunsteren and Berendsen - refinement
NMR spectrometers:
- VARIAN UNITY 500 MHz