BMRB Entry 5160
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5160
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Citation: Blond, A.; Cheminant, M.; Segalas-Milazzo, I.; Peduzzi, J.; Barthelemy, M.; Goulard, C.; Salomon, R.; Moreno, F.; Farias, R.; Rebuffat, S.. "Solution structure of microcin J25, the single macrocyclic antimicrobial peptide
from Escherichia coli" Eur. J. Biochem. 268, 2124-2133 (2001).
PubMed: 11277936
Assembly members:
microcin J25, polymer, 21 residues, 2107 Da.
Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
microcin J25: VGIGTPISFYGGGAGHVPEY
F
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 79 |
| 1H chemical shifts | 133 |
| coupling constants | 31 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | microcin J25 | 1 |
Entities:
Entity 1, microcin J25 21 residues - 2107 Da.
| 1 | VAL | GLY | ILE | GLY | THR | PRO | ILE | SER | PHE | TYR | ||||
| 2 | GLY | GLY | GLY | ALA | GLY | HIS | VAL | PRO | GLU | TYR | ||||
| 3 | PHE |
Samples:
sample_1: microcin J25 6 mM; CD3OH 100%
sample_cond_1: pH: 7.0; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| TOCSY | sample_1 | not available | sample_cond_1 |
| NOESY | sample_1 | not available | sample_cond_1 |
| 1H-13C HSQC | sample_1 | not available | sample_cond_1 |
| 1H13C HMBC | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v2.5 - processing, spectrum acquisition
AURELIA v2.5.9 - NOE data quantification
X-PLOR v3.851 - simulated annealing, three-dimensional structure calculation
NMR spectrometers:
- Bruker DMX 600 MHz
- Bruker AVANCE 400 MHz