BMRB Entry 34734

Name: Triculamin: an Unusual Lasso Peptide with Potent Anti-mycobacterial Activity
Published: 2022-07-04

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PDB ID: 7zwj
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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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	68
15N chemical shifts	17
1H chemical shifts	109

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

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 peaks
SPARKY: Backbone or all simulated peaks