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
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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: 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:
entity_1, polymer, 11 residues, 1261.75 Da.
entity_2, polymer, 7 residues, 1876.23 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: Peptide synthesis Host organism: N.A.
Entity Sequences (FASTA):
entity_1: XISXXISXALI
entity_2: AXKXAXX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 58 |
| 15N chemical shifts | 6 |
| 1H chemical shifts | 6 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Teixobactin | 1 |
| 2 | Lipid II | 2 |
Entities:
Entity 1, Teixobactin 11 residues - 1261.75 Da.
| 1 | ZAE | ILE | SER | DAR | 28J | ILE | SER | DTH | ALA | LEU | ||||
| 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 | DAL | DGL | LYS | GGL | ALA | MUB | NAG |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C/13C PDSD | sample_1 | anisotropic | sample_conditions_1 |
| 2D 13C/13C TOBSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | anisotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | anisotropic | sample_conditions_1 |
Software:
TOPSPIN - collection, processing
NMRFAM-SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker Avance 950 MHz
- Bruker Avance 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts