BMRB Entry 21038

Title:
AIP-III_DL7
Deposition date:
2013-07-31
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-III_DL7, polymer, 7 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-III_DL7: INCDFLX

Data sets:
Data typeCount
1H chemical shifts53

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1AIP-III_DL71

Entities:

Entity 1, AIP-III_DL7 7 residues - 818 Da.

Leu7 is not a L-amino acid, it is a D-amino acid

1   ILEASNCYSASPPHELEUDLE

Samples:

sample_1: AIP-III_DL7 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