BMRB Entry 30595
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30595
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Title: CSP1-cyc(Dab6E10) PubMed: 31915298
Deposition date: 2019-03-21 Original release date: 2020-01-06
Authors: Yang, Y.
Citation: Yang, Y.; Lin, J.; Harrington, A.; Cornilescu, G.; Lau, G.; Tal-Gan, Y.. "Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity in Streptococcus pneumoniae" Proc. Natl. Acad. Sci. USA 117, 1689-1699 (2020).
Assembly members:
entity_1, polymer, 17 residues, 2232.715 Da.
Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: EMRLSXFFRQFILQRKK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 19 |
| 15N chemical shifts | 7 |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 17 residues - 2232.715 Da.
| 1 | GLU | MET | ARG | LEU | SER | DAB | PHE | PHE | ARG | GLN | ||||
| 2 | PHE | ILE | LEU | GLN | ARG | LYS | LYS |
Samples:
sample_1: CSP1-cyc(Dab6E10) 1.9 mM; DPC, deuterium, 250 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
Sparky, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts