BMRB Entry 30230
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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/BMR30230
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Title: Solution NMR Structure of Lasso Peptide Klebsidin PubMed: 28106375
Deposition date: 2017-01-13 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:
entity_1, polymer, 19 residues, 2052.247 Da.
Natural source: Common Name: Klebsiella pneumoniae Taxonomy ID: 1455603 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella pneumoniae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BW25113
Entity Sequences (FASTA):
entity_1: GSDGPIIEFFNPNGVMHYG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 103 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 19 residues - 2052.247 Da.
| 1 | GLY | SER | ASP | GLY | PRO | ILE | ILE | GLU | PHE | PHE | ||||
| 2 | ASN | PRO | ASN | GLY | VAL | MET | HIS | TYR | GLY |
Samples:
sample_1: Klebsidin 10 mg/mL
sample_conditions_1: pH: 7; pressure: 1 Pa; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | anisotropic | sample_conditions_1 |
| 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 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
MestReNova, Mestrelab - data analysis
NMR spectrometers:
- Bruker AvanceIII 800 MHz