BMRB Entry 50938

Name: Natural Teixobactin - Lipid II complex
Published: 2022-05-11

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PDB ID: 7qgv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50938
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:

Natural Teixobactin - Lipid II complex

Deposition date:

2021-05-12

Original release date:

2022-05-11

Authors:

Shukla, Rhythm; Weingarth, Markus

Citation:

Citation: Shukla, Rhythm; Lavore, Francesca; Maity, Sourav; Derks, Maik; Jones, Chelsea; Vermeulen, Bram; Melcrova, Adela; Morris, Michael; Becker, Lea Marie; Wang, Xiaoqi; Kumar, Raj; Medeiros-Silva, Joao; van Beekveld, Roy; Bonvin, Alexandre; Lorent, Joseph; Lelli, Moreno; Nowick, James; MacGillavry, Harold; Peoples, Aaron; Spoering, Amy; Ling, Losee; Hughes, Dallas; Roos, Wouter; Breukink, Eefjan; Lewis, Kim; Weingarth, Markus. "Teixobactin kills bacteria by a two-pronged attack on the cell envelope" Nature 608, 390-396 (2022).
PubMed: 35922513

Assembly members:

Assembly members:
Teixobactin, polymer, 11 residues, Formula weight is not available
Lipid II, polymer, 7 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):
Teixobactin: XISXXISXAXI
Lipid II: XXAEKXX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	91
15N chemical shifts	11
1H chemical shifts	11

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Teixobactin	1
2	Lipid II	2

Entities:

Entity 1, Teixobactin 11 residues - Formula weight is not available

N-[N-Methyl-D-Phe-Ile-Ser-D-Gln-D-aIle-Ile-Ser-]cyclo[D-Thr*-Ala-[3-(2-iminoimidazolidine-4beta-yl)-Ala-]-Ile-]

1

DPH

ILE

SER

DGN

28J

ILE

SER

DTC

ALA

ENN

2

ILE

Entity 2, Lipid II 7 residues - Formula weight is not available

N-[(R)-2-[1-O-[[[[(3,7,11-Trimethyl-2,6,10-dodecatrienyl)oxy]phosphonyl]oxy]phosphonyl]- 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-alpha- D-glucopyranose-3-O-yl]propionyl]-L-Ala-D-gammaGlu-L-Lys-D-Ala-D-Ala-OH ester

1

ALA

DGL

LYS

ALA

X

MUB

NAG

Samples:

sample_1: Teixobactin, [U-13C; U-15N], 800 nmols; Lipid II, [U-13C; U-15N], 400 nmols; DOPC 9600 nmols

sample_conditions_1: ionic strength: 40 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D CC	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

TOPSPIN - collection

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