BMRB Entry 6420
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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/BMR6420
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Ball, L.-J.; Goult, C.; Donarski, J.; Micklefield, J.; Ramesh, V.. "NMR structure determination and calcium binding effects of lipopeptide
antibiotic daptomycin." Org. Biomol. Chem. 2, 1872-1878 (2004).
PubMed: 15227539
Assembly members:
Daptomycin, polymer, 14 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Daptomycin: XWNDTGXDXDGXXX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 60 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Daptomycin | 1 |
Entities:
Entity 1, Daptomycin 14 residues - Formula weight is not available
| 1 | DKA | TRP | ASN | ASP | THR | GLY | ORN | ASP | DAL | ASP | ||||
| 2 | GLY | DSN | LME | KYN |
Samples:
sample_1: Daptomycin 0.8 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 5.05; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v3.5 - collection
NMRPipe v1.0 - processing
SPARKY v3.0 - data analysis
DYANA v1.5 - refinement, structure solution
NMR spectrometers:
- Bruker DRX 600 MHz