BMRB Entry 21045

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21045

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Title:
AIP-I
Deposition date:
2013-10-07
Original release date:
2013-12-10
Authors:
Tal-Gan, Yftah; Ivancic, Monika; Cornilescu, Gabriel; Cornilescu, Claudia; Blackwell, Helen
Citation:

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:

Assembly members:
AIP-I, polymer, 8 residues, 818 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: synthetic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AIP-I: YSTCDFIM

Data sets:
Data typeCount
1H chemical shifts50

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1AIP-I1

Entities:

Entity 1, AIP-I 8 residues - 818 Da.

1   TYRSERTHRCYSASPPHEILEMET

Samples:

sample_1: AIP-I 1 mM; H2O 70%; CD3CN 30%

sample_conditions_1: pH: 3.65; temperature: 298 K

Experiments:

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

Software:

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz