BMRB Entry 34734
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34734
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Triculamin: an Unusual Lasso Peptide with Potent Anti-mycobacterial Activity PubMed: 35748039
Deposition date: 2022-05-19 Original release date: 2022-07-04
Authors: Pedersen, K.; Gotfredsen, C.; Torring, T.; Juhl, D.
Citation: Andersen, Frederikke; Pedersen, Katja; Wilkens Juhl, Dennis; Mygind, Tobias; Chopin, Paul; B Svenningsen, Esben; Poulsen, Thomas; Braad Lund, Marie; Schramm, Andreas; Gotfredsen, Charlotte; Torring, Thomas. "Triculamin: An Unusual Lasso Peptide with Potent Antimycobacterial Activity" J. Nat. Prod. 85, 1514-1521 (2022).
Assembly members:
entity_1, polymer, 17 residues, 1733.028 Da.
Natural source: Common Name: Streptomyces triculaminicus Taxonomy ID: 2816232 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces triculaminicus
Experimental source: Production method: recombinant technology Host organism: Streptomyces triculaminicus
Entity Sequences (FASTA):
entity_1: SKKSKPGDGIRGKGVRG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 68 |
| 15N chemical shifts | 17 |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 17 residues - 1733.028 Da.
| 1 | SER | LYS | LYS | SER | LYS | PRO | GLY | ASP | GLY | ILE | ||||
| 2 | ARG | GLY | LYS | GLY | VAL | ARG | GLY |
Samples:
sample_1: Triculamin 20 mg/mL
sample_conditions_1: pH: 2.85; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY, 60 ms | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY, 120 ms | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY, 200 ms | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.5 pl5, Bruker Biospin - collection
TopSpin v3.6.1, Bruker Biospin - chemical shift assignment, processing
MacroModel v12.0, Schrodinger - geometry optimization
NMR spectrometers:
- Bruker AVANCE III 950 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts