BMRB Entry 20014
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20014
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Citation: Knappe, T.; Linne, U.; Zirah, S.; Rebuffat, S.; Xie, X.; Marahiel, M.. "Isolation and structural characterization of capistruin, a lasso peptide predicted from the genome sequence of Burkholderia thailandensis E264" J. Am. Chem. Soc. 130, 11446-11454 (2008).
PubMed: 18671394
Assembly members:
CAPISTRUIN, polymer, 19 residues, 2051.26 Da.
Natural source: Common Name: Burkholderia thailandensis Taxonomy ID: 57975 Superkingdom: Bacteria Kingdom: not available Genus/species: Burkholderia thailandensis
Experimental source: Production method: recombinant technology Vector: M20
Entity Sequences (FASTA):
CAPISTRUIN: GTPGFQTPDARVISRFGFN
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 110 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CAPISTRUIN | 1 |
Entities:
Entity 1, CAPISTRUIN 19 residues - 2051.26 Da.
| 1 | GLY | THR | PRO | GLY | PHE | GLN | THR | PRO | ASP | ALA | ||||
| 2 | ARG | VAL | ILE | SER | ARG | PHE | GLY | PHE | ASN |
Samples:
sample_1: CAPISTRUIN 8.6 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 0 mM; pH: .; pressure: 1 bar; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, G NTERT, P. - geometry optimization
TOPSPIN v2.1, Bruker Biospin - processing
SPARKY v2.1, Goddard - data analysis
NMR spectrometers:
- BRUKER AVANCE 600 MHz