BMRB Entry 50027
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50027
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Title: The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens PubMed: 32719135
Deposition date: 2019-10-02 Original release date: 2020-08-06
Authors: Chiumento, Steve; Roblin, Clarisse; Bornet, Olivier; Nouailler, Matthieu; Muller, Christina; Basset, Christian; Kieffer-Jaquinod, Sylvie; Coute, Yohann; Torelli, Stephane; Le Pape, Laurent; Shunemann, Volker; Jeannot, Katy; Nicoletti, Cendrine; Iranzo, Olga; Maresca, Marc; Giardina, Thierry; Fons, Michel; Devillard, Estelle; Perrier, Josette; Atta, Mohamed; Guerlesquin, Francoise; Lafond, Mickael; Duarte, Victor
Citation: Roblin, Clarisse; Chiumento, Steve; Bornet, Olivier; Nouailler, Matthieu; Muller, Christina; Jeannot, Katy; Basset, Christian; Kieffer-Jaquinod, Sylvie; Coute, Yohann; Torelli, Stephane; Le Pape, Laurent; Schunemann, Volker; Olleik, Hamza; De La Villeon, Bruno; Sockeel, Philippe; Di Pasquale, Eric; Nicoletti, Cendrine; Vidal, Nicolas; Poljak, Leonora; Iranzo, Olga; Giardina, Thierry; Fons, Michel; Devillard, Estelle; Polard, Patrice; Maresca, Marc; Perrier, Josette; Atta, Mohamed; Guerlesquin, Francoise; Lafond, Mickael; Duarte, Victor. "The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens" Proc. Natl. Acad. Sci. U. S. A. ., .-. (2020).
Assembly members:
entity_1, polymer, 44 residues, Formula weight is not available
Natural source: Common Name: Ruminococcus gnavus Taxonomy ID: 33038 Superkingdom: Bacteria Kingdom: not available Genus/species: Ruminococcus gnavus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: WGCVCSGSTAVANSHNAGPA
YCVGYCGNNGVVTRNANANV
AKTA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 138 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 222 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RUMC1 | 1 |
Entities:
Entity 1, RUMC1 44 residues - Formula weight is not available
| 1 | TRP | GLY | CYS | VAL | CYS | SER | GLY | SER | THR | ALA | ||||
| 2 | VAL | ALA | ASN | SER | HIS | ASN | ALA | GLY | PRO | ALA | ||||
| 3 | TYR | CYS | VAL | GLY | TYR | CYS | GLY | ASN | ASN | GLY | ||||
| 4 | VAL | VAL | THR | ARG | ASN | ALA | ASN | ALA | ASN | VAL | ||||
| 5 | ALA | LYS | THR | ALA |
Samples:
sample_1: RUMC1, [U-100% 13C; U-100% 15N], 0.2 mM; phosphate buffer 10 mM
sample_conditions_1: ionic strength: 10 mM; pH: 6.8; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR vv2.4.2, Vranken et al, 2005 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts