BMRB Entry 36317
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36317
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Citation: Liu, Tan; Ma, Xiaojie; Yu, Jiahui; Yang, Wensheng; Wang, Guiyang; Wang, Zhengdong; Ge, Yuanjie; Song, Juan; Han, Hua; Zhang, Wen; Yang, Donghui; Liu, Xuehui; Ma, Ming. "Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications." Chem. Sci. 12, 12353-12364 (2021).
PubMed: 34603665
Assembly members:
lasso peptide, polymer, 15 residues, 1675.922 Da.
Natural source: Common Name: not available Taxonomy ID: 1931 Superkingdom: not available Kingdom: Bacillati Genus/species: Streptomyces sp.
Experimental source: Production method:
Entity Sequences (FASTA):
lasso peptide: LVVIVQADWNAPGFF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 2 |
| 1H chemical shifts | 111 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 15 residues - 1675.922 Da.
| 1 | LEU | VAL | VAL | ILE | VAL | GLN | ALA | ASP | TRP | ASN | ||||
| 2 | ALA | PRO | GLY | PHE | PHE |
Samples:
sample_1: lasso peptide, [U-13C], mM; NaCl 100 mM; H2O 90 v/v; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 100 mM; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Agilent DD2 600 MHz