BMRB Entry 30843
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30843
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Aspartimidylated Lasso Peptide Lihuanodin PubMed: 34283601
Deposition date: 2021-01-11 Original release date: 2021-07-26
Authors: Link, A.; Cao, L.
Citation: Cao, Li; Beiser, Moshe; Koos, Joseph; Orlova, Margarita; Elashal, Hader; Schroder, Hendrik; Link, A James. "Cellulonodin-2 and Lihuanodin: Lasso Peptides with an Aspartimide Post-Translational Modification" J. Am. Chem. Soc. 143, 11690-11702 (2021).
Assembly members:
entity_1, polymer, 15 residues, 1753.780 Da.
Natural source: Common Name: Lihuaxuella thermophila Taxonomy ID: 1173111 Superkingdom: Bacteria Kingdom: not available Genus/species: Lihuaxuella thermophila
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21
Entity Sequences (FASTA):
entity_1: GSKYSDTADESSYRW
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 84 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 15 residues - 1753.780 Da.
| 1 | GLY | SER | LYS | TYR | SER | ASP | THR | ALA | ASP | GLU | ||||
| 2 | SER | SER | TYR | ARG | TRP |
Samples:
sample_1: lihuanodin 1.6 mM
sample_conditions_1: ionic strength: 0 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
MestreLab (Mnova / MestReNova / MestReC), MestreLab Research - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - refinement
NMR spectrometers:
- Bruker AVANCE III 800 MHz