BMRB Entry 50202

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50202
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Mode of action of teixobactins in cellular conditions
Deposition date:
2020-02-23
Original release date:
2020-06-08
Authors:
Silva, Joao; Shukla, Rhythm; Parmar, Anish; Vermeulen, Bram; Das, Sanjit; Lucini Paioni, Alessandra; Jekhmane, Shehrazade; Lorent, Joseph; Bonvin, Alexandre; Baldus, Marc; Lelli, Moreno; Veldhuizen, Edwin; Breukink, Eefjan; Singh, Ishwar; Weingarth, Markus
Citation:

Citation: Silva, Joao; Shukla, Rhythm; Parmar, Anish; Vermeulen, Bram; Das, Sanjit; Lucini Paioni, Alessandra; Jekhmane, Shehrazade; Lorent, Joseph; Bonvin, Alexandre; Baldus, Marc; Lelli, Moreno; Veldhuizen, Edwin; Breukink, Eefjan; Singh, Ishwar; Weingarth, Markus. "Mode of action of teixobactins in cellular conditions"  Nat. Commun. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 1261.75 Da.
entity_2, polymer, 7 residues, 1876.23 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: Peptide synthesis   Host organism: N.A.

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XISXXISXALI
entity_2: AXKXAXX

Data sets:
Data typeCount
13C chemical shifts58
15N chemical shifts6
1H chemical shifts6

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Teixobactin1
2Lipid II2

Entities:

Entity 1, Teixobactin 11 residues - 1261.75 Da.

1   ZAEILESERDAR28JILESERDTHALALEU
2   ILE

Entity 2, Lipid II 7 residues - 1876.23 Da.

D-Ala, D-Ala, Lys, gamma-Gln, Ala, MurNAc, GlucNAc, PPi, (isoprene)11

1   DALDGLLYSGGLALAMUBNAG

Samples:

sample_1: [R4L10]Teixobactin, Partially 13C, 15N labelled, 400 nmol; Lipid II, Partially 13C, 15N labelled, 200 nmol; DOPC 4800 nmol; Phosphate buffer 25 mM; NaCl 25 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 305 K

Experiments:

NameSampleSample stateSample conditions
2D 13C/13C PDSDsample_1anisotropicsample_conditions_1
2D 13C/13C TOBSYsample_1anisotropicsample_conditions_1
2D 1H-15Nsample_1anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D HNCOsample_1anisotropicsample_conditions_1
3D CBCA(CO)NHsample_1anisotropicsample_conditions_1

Software:

TOPSPIN - collection, processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 950 MHz
  • Bruker Avance 700 MHz

Related Database Links:

BMRB 6146

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