BMRB Entry 6246
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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/BMR6246
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Title: Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin PubMed: 15271353
Deposition date: 2004-06-23 Original release date: 2008-07-17
Authors: Jung, D.; Rozek, A.; Okon, M.; Hancock, R.
Citation: Jung, D.; Rozek, A.; Okon, M.; Hancock, R.. "Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin" Chem. Biol. 11, 949-957 (2004).
Assembly members:
daptomycin, polymer, 13 residues, Formula weight is not available
DKA, non-polymer, 172.265 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
daptomycin: WNXTGXDXDGXXX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 65 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | daptomycin | 1 |
| 2 | DECANOIC ACID | 2 |
Entities:
Entity 1, daptomycin 13 residues - Formula weight is not available
| 1 | TRP | ASN | DAS | THR | GLY | ORN | ASP | DAL | ASP | GLY | ||||
| 2 | DSN | MEG | KYN |
Entity 2, DECANOIC ACID - C10 H20 O2 - 172.265 Da.
| 1 | DKA |
Samples:
sample_1: daptomycin 2 mM; KCl 100 mM; EGTA 2 mM; EDTA 0.2 mM; H2O 93%; D2O 7%
sample_cond_1: ionic strength: 100 mM; pH: 6.6; pressure: 1 atm; temperature: 290.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
Software:
DGII vmodule of INSIGHT II ver 97.2 - refinement, structure solution
NMRPipe v1 - processing
NMRView v5.0.4 - data analysis
NMR spectrometers:
- Varian UNITY 500 MHz