BMRB Entry 5859
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR5859
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Title: Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot PubMed: 14531661
Deposition date: 2003-07-04 Original release date: 2003-10-17
Authors: Bayro, Marvin; Swapna, Gurla; Huang, Yuangpeng; Ma, Li-chung; Mukhopadhyay, Jayanta; Sineva, Elena; Ebright, Richard; Montelione, Gaetano
Citation: Bayro, Marvin; Mukhopadhyay, Jayanta; Swapna, G.; Huang, Yuangpeng; Ma, Li-chung; Sineva, Elena; Dawson, Philip; Montelione, Gaetano; Ebright, Richard. "Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot" J. Am. Chem. Soc. 125, 12382-12383 (2003).
Assembly members:
Microcin J25, polymer, 21 residues, 2107.3 Da.
Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinate technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Microcin J25: GGAGHVPEYFVGIGTPISFY
G
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 133 |
| 13C chemical shifts | 72 |
| 15N chemical shifts | 19 |
| coupling constants | 13 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Microcin J25 | 1 |
Entities:
Entity 1, Microcin J25 21 residues - 2107.3 Da.
| 1 | GLY | GLY | ALA | GLY | HIS | VAL | PRO | GLU | TYR | PHE | ||||
| 2 | VAL | GLY | ILE | GLY | THR | PRO | ILE | SER | PHE | TYR | ||||
| 3 | GLY |
Samples:
sample_1: Microcin J25, [U-94% 13C; U-94% 15N], 2.0 mM; CD3OH 100%
sample_2: Microcin J25, [U-100% 15N], 2.0 mM; CD3OH 100%
Ex-cond_1: pH: .; temperature: 298 K; ionic strength: 0.1 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NH HSQC | not available | not available | Ex-cond_1 |
| HNCACB | not available | not available | Ex-cond_1 |
| CBCAcoNH | not available | not available | Ex-cond_1 |
| CH HSQC | not available | not available | Ex-cond_1 |
| HCCH-COSY | not available | not available | Ex-cond_1 |
| 15N-edited NOESY | not available | not available | Ex-cond_1 |
| 13C edited NOESY | not available | not available | Ex-cond_1 |
| HNHA | not available | not available | Ex-cond_1 |
| HBCBcgcdHD | not available | not available | Ex-cond_1 |
| aromatic TOCSY RD | not available | not available | Ex-cond_1 |
| hetNOE | not available | not available | Ex-cond_1 |
| 15N HSQC TOCSY | not available | not available | Ex-cond_1 |
Software:
VNMR6.1C - data collection
nmrPipe - raw spectral data processing
Sparky - spectral visualization
AutoStructure - automated structural determination
HYPER v3.2 - data analysis
DYANA v1.5 - structure refinement
NMR spectrometers:
- varian UNITY Inova 500 MHz
- varian UNITY Inova 600 MHz
Related Database Links:
| PDB | |
| GB | AAD28494 AGC14267 AIF78688 ELC03738 ELC41113 |
| REF | WP_001513516 YP_007443296 YP_009071192 YP_009075876 |
| SP | Q9X2V7 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts