BMRB Entry 30530
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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/BMR30530
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Cheung-Lee, Wai Ling; Parry, Madison; Jaramillo Cartagena, Alexis; Darst, Seth; Link, A James. "Discovery and structure of the antimicrobial lasso peptide citrocin." J. Biol. Chem. 294, 6822-6830 (2019).
PubMed: 30846564
Assembly members:
entity_1, polymer, 19 residues, 1901.173 Da.
Natural source: Common Name: Citrobacter pasteurii Taxonomy ID: 1563222 Superkingdom: Bacteria Kingdom: not available Genus/species: Citrobacter pasteurii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GGVGKIIEYFIGGGVGRYG
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 127 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 19 residues - 1901.173 Da.
| 1 | GLY | GLY | VAL | GLY | LYS | ILE | ILE | GLU | TYR | PHE | ||||
| 2 | ILE | GLY | GLY | GLY | VAL | GLY | ARG | TYR | GLY |
Samples:
sample_1: citrocin 3.8 mg/mL
sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Mnova v11.0, Mestrelab Research - processing
CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure calculation
GROMACS, HERMAN BERENDSEN'S GROUP - refinement
NMR spectrometers:
- Bruker AvanceIII 800 MHz