BMRB Entry 51629

Name: Clovibactin unbound
Published: 2023-06-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51629

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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:

Clovibactin unbound

Deposition date:

2022-09-16

Original release date:

2023-06-23

Authors:

Shukla, Rhythm; Weingarth, Markus

Citation:

Citation: Shukla, Rhythm; Peoples, Aaron; Ludwig, Kevin; Maity, Sourav; Derks, Maik; De Benedetti, Stefania; Krueger, Annika; Vermeulen, Bram; Harbig, Theresa; Lavore, Francesca; Kumar, Raj; Honorato, Rodrigo; Grein, Fabian; Nieselt, Kay; Liu, Yangping; Bonvin, Alexandre; Baldus, Marc; Kubitscheck, Ulrich; Breukink, Eefjan; Achorn, Catherine; Nitti, Anthony; Schwalen, Christopher; Spoering, Amy; Ling, Losee Lucy; Hughes, Dallas; Lelli, Moreno; Roos, Wouter; Lewis, Kim; Schneider, Tanja; Weingarth, Markus. "An antibiotic from an uncultured bacterium binds to an immutable target" Cell 186, 4059-4073 (2023).
PubMed: 37611581

Assembly members:

Assembly members:
entity_1, polymer, 8 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Eleftheria terrae Taxonomy ID: 1597781 Superkingdom: Bacteria Kingdom: not available Genus/species: Eleftheria terrae

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FXXSXALL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	16
15N chemical shifts	8
1H chemical shifts	7

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Clovibactin	1

Entities:

Entity 1, Clovibactin 8 residues - Formula weight is not available

1

PHE

DLE

DLY

SER

HYN

ALA

LEU

Samples:

sample_1: Clovibactin, [U-13C; U-15N], 100 nM

sample_conditions_1: ionic strength: 0.0001 M; pH: 5; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - chemical shift assignment, collection

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks