BMRB Entry 30625

Name: Antimicrobial lasso peptide ubonodin
Published: 2019-12-02

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PDB ID: 6por
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30625
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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:

Antimicrobial lasso peptide ubonodin

Deposition date:

2019-07-05

Original release date:

2019-12-02

Authors:

Link, A.; Cheung-Lee, W.

Citation:

Citation: Cheung-Lee, W.; Parry, M.; Zong, C.; Cartagena, A.; Darst, S.; Connell, N.; Russo, R.; Link, A.. "Discovery of ubonodin, an antimicrobial lasso peptide active against members of the Burkholderia cepacia complex" Chembiochem. 21, 1335-1340 (2019).
PubMed: 31765515

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 3220.489 Da.

Natural source:

Natural source: Common Name: Burkholderia ubonensis Taxonomy ID: 101571 Superkingdom: Bacteria Kingdom: not available Genus/species: Burkholderia ubonensis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGDGSIAEYFNRPMHIHDWQ IMDSGYYG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	172

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 28 residues - 3220.489 Da.

1

GLY

ASP

GLY

SER

ILE

ALA

GLU

TYR

PHE

2

ASN

ARG

PRO

MET

HIS

ILE

HIS

ASP

TRP

GLN

3

ILE

MET

ASP

SER

GLY

TYR

GLY

Samples:

sample_1: Ubonodin 9 mg/mL

sample_2: Ubonodin 4.6 mg/mL

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 295.2 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

MestreLab (Mnova / MestReNova / MestReC) v11.0, Mestrelab Research - processing

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure calculation

GROMACS, HERMAN BERENDSEN'S GROUP - refinement

NMR spectrometers:

Bruker AVANCE III 800 MHz