BMRB Entry 30229
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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/BMR30229
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Title: Solution NMR Structure of Lasso Peptide Acinetodin PubMed: 28106375
Deposition date: 2017-01-12 Original release date: 2017-02-02
Authors: Bushin, L.; Metelev, M.; Severinov, K.; Seyedsayamdost, M.
Citation: Metelev, M.; Arseniev, A.; Bushin, L.; Kuznedelov, K.; Artamonova, T.; Kondratenko, R.; Khodorkovskii, M.; Seyedsayamdost, M.; Severinov, K.. "Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae." ACS Chem. Biol. 12, 814-824 (2017).
Assembly members:
Acinetodin, polymer, 18 residues, 1976.127 Da.
Natural source: Common Name: g-proteobacteria Taxonomy ID: 1217657 Superkingdom: Bacteria Kingdom: not available Genus/species: Acinetobacter gyllenbergii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BW25113
Entity Sequences (FASTA):
Acinetodin: GGKGPIFETWVTEGNYYG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 114 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 18 residues - 1976.127 Da.
| 1 | GLY | GLY | LYS | GLY | PRO | ILE | PHE | GLU | THR | TRP | ||||
| 2 | VAL | THR | GLU | GLY | ASN | TYR | TYR | GLY |
Samples:
sample_1: Acinetodin, NA, 10 mg/mL; H2O 90%; D2O 10%
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | anisotropic | sample_conditions_1 |
| 1D 1H | sample_1 | anisotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
MestReNova, Mestrelab - data analysis
NMR spectrometers:
- Bruker AvanceIII 800 MHz