BMRB Entry 31110

Name: Solution NMR structure of the lasso peptide wygwalassin-A1
Published: 2024-09-18

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PDB ID: 8ukg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31110
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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:

Solution NMR structure of the lasso peptide wygwalassin-A1

Deposition date:

2023-10-13

Original release date:

2024-09-18

Authors:

Saad, H.; Zhu, L.; Harris, L.; Shelton, K.; Mitchell, D.

Citation:

Citation: Saad, H.; MItchell, D.. "Discovery and Structural characterization of Two-Trp modified lasso peptides, Chlorolassin and Wygwalassin A1" .

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1705.822 Da.

Natural source:

Natural source: Common Name: Streptomyces katrae Taxonomy ID: 68223 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces katrae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: WXGXASNDGEGTAII

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	100

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 15 residues - 1705.822 Da.

1

TRP

PQ4

GLY

WWB

ALA

SER

ASN

ASP

GLY

GLU

2

GLY

THR

ALA

ILE

Samples:

sample_1: lassopeptide 0.2 mM

sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 298.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D NOESY	sample_1	isotropic	sample_conditions_1
2D HSQC	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH v2.51, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

VnmrJ v4.2A, Agilent - collection

TopSpin v4.1.4, Bruker Biospin - collection

MestreLab (Mnova / MestReNova / MestReC) v14.3.0, Mestrelab Research S.L. - chemical shift assignment

Sparky, Goddard - peak picking

NMR spectrometers:

Agilent VNMRS 750 MHz
Bruker Avance II NEO 600 MHz