Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 21042

Title: tAIP-III_D2A

Authors: Tal-Gan, Yftah; Ivancic, Monika; Cornilescu, Gabriel; Cornilescu, Claudia; Blackwell, Helen

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:
tAIP-III_D2A, polymer, 6 residues, 589 Da.

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:   Production method: synthetic

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts42

Additional metadata:

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  • Samples and Experiments
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Entity Assembly IDEntity NameEntity ID


Entity 1, tAIP-III_D2A 6 residues - 589 Da.

1st 'residue' is an acetyl group and not a true residue



sample_1: tAIP-III_D2A 1 mM; H2O 70%; CD3CN 30%

sample_conditions_1: pH: 3.65; temperature: 298 K


NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1


X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

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