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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Title:
Triculamin: an Unusual Lasso Peptide with Potent Anti-mycobacterial Activity
Deposition date:
2022-05-19
Original release date:
2022-07-04
Authors:
Pedersen, K.; Gotfredsen, C.; Torring, T.; Juhl, D.
Citation:

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).
PubMed: 35748039

Assembly members:

Assembly members:
entity_1, polymer, 17 residues, 1733.028 Da.

Natural source:

Natural source:   Common Name: Streptomyces triculaminicus   Taxonomy ID: 2816232   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces triculaminicus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Streptomyces triculaminicus

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SKKSKPGDGIRGKGVRG

Data sets:
Data typeCount
13C chemical shifts68
15N chemical shifts17
1H chemical shifts109

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 17 residues - 1733.028 Da.

1   SERLYSLYSSERLYSPROGLYASPGLYILE
2   ARGGLYLYSGLYVALARGGLY

Samples:

sample_1: Triculamin 20 mg/mL

sample_conditions_1: pH: 2.85; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D HMBCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-TOCSYsample_1isotropicsample_conditions_1
2D NOESY, 60 mssample_1isotropicsample_conditions_1
2D NOESY, 120 mssample_1isotropicsample_conditions_1
2D NOESY, 200 mssample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D TOCSYsample_1isotropicsample_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 peaks
SPARKY: Backbone or all simulated peaks