BMRB Entry 21046
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21046
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Citation: Tal-Gan, Yftah; Ivancic, Monika; Cornilescu, Gabriel; Cornilescu, Claudia; Blackwell, Helen. "Structural Characterization of an Autoinducing Peptide and Abiotic Analogs Reveals Key Features Essential for Activation and Inhibition of an AgrC Quorum Sensing Receptor in Staphylococcus aureus" J. Am. Chem. Soc. ., .-..
Assembly members:
AIP-II, polymer, 9 residues, 879 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: .
Entity Sequences (FASTA):
AIP-II: GVNACSSLF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 53 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AIP-II | 1 |
Entities:
Entity 1, AIP-II 9 residues - 879 Da.
| 1 | GLY | VAL | ASN | ALA | CYS | SER | SER | LEU | PHE |
Samples:
sample_1: AIP-II 1 mM; H2O 70%; CD3CN 30%
sample_conditions_1: pH: 3.65; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz