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 18102

Title: Structure, Activity and Interactions of the Cysteine Deleted Analog of Tachyplesin-1 with Lipopolysaccharide Micelles   PubMed: 22464970

Deposition date: 2011-11-25 Original release date: 2012-04-23

Authors: Joshi, Mangesh; Bhattacharjya, Surajit; Saravanan, Rathi

Citation: Saravanan, Rathi; Mohanram, Harini; Joshi, Mangesh; Domadia, Prerna; Torres, Jaume; Ruedl, Christiane; Bhattacharjya, Surajit. "Structure, activity and interactions of the cysteine deleted analog of tachyplesin-1 with lipopolysaccharide micelle: Mechanistic insights into outer-membrane permeabilization and endotoxin neutralization."  Biochim. Biophys. Acta 1818, 1613-1624 (2012).

Assembly members:
CDT-LPS, polymer, 13 residues, 1862.254 Da.

Natural source:   Common Name: horseshoe crab   Taxonomy ID: 6853   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Tachypleus tridentatus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
CDT-LPS: KWFRVYRGIYRRR

Data sets:
Data typeCount
1H chemical shifts88

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Cysteine Deleted Analog of Tachyplesin-11

Entities:

Entity 1, Cysteine Deleted Analog of Tachyplesin-1 13 residues - 1862.254 Da.

1   LYSTRPPHEARGVALTYRARGGLYILETYR
2   ARGARGARG

Samples:

sample_1: CDT-LPS 0.5 mM; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, data analysis

TOPSPIN v2.1, Bruker Biospin - collection, processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz