BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 6420

Title: Daptomycin NMR Structure   PubMed: 15227539

Authors: Ball, L.-J.; Goult, C.; Donarski, J.; Micklefield, J.; Ramesh, V.

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).

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

Data sets:
Data typeCount
1H chemical shifts60

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Daptomycin1

Entities:

Entity 1, Daptomycin 14 residues - Formula weight is not available

1   DKATRPASNASPTHRGLYORNASPDALASP
2   GLYDSNLMEKYN

Samples:

sample_1: Daptomycin 0.8 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 5.05; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_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

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