BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 6246

Title: Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin   PubMed: 15271353

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

Data sets:
Data typeCount
1H chemical shifts65

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1daptomycin1
2DECANOIC ACID2

Entities:

Entity 1, daptomycin 13 residues - Formula weight is not available

1   TRPASNDASTHRGLYORNASPDALASPGLY
2   DSNMEGKYN

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:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_cond_1
2D TOCSYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_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

Related Database Links: