BMRB Entry 18590

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18590
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Title:
S. aureus pepA1 NMR structure
Deposition date:
2012-07-11
Original release date:
2014-04-22
Authors:
Sayed, N.; Nonin-Lecomte, Sylvie; Rety, S.; Felden, B.
Citation:

Citation: Sayed, Nour; Nonin-Lecomte, Sylvie; Rety, Stephane; Felden, Brice. "Functional and structural insights of a Staphylococcus aureus apoptotic-like membrane peptide from a toxin-antitoxin module."  J. Biol. Chem. 287, 43454-43463 (2012).
PubMed: 23129767

Assembly members:

Assembly members:
PEPA1, polymer, 30 residues, 3459.2068 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PEPA1: MLIFVHIIAPVISGCAIAFF SYWLSRRNTK

Data sets:
Data typeCount
1H chemical shifts94

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1PEPA11

Entities:

Entity 1, PEPA1 30 residues - 3459.2068 Da.

1   METLEUILEPHEVALHISILEILEALAPRO
2   VALILESERGLYCYSALAILEALAPHEPHE
3   SERTYRTRPLEUSERARGARGASNTHRLYS

Samples:

sample_1: PEPA1 5 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 3.800; pressure: 1.000 atm; temperature: 288.000 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1solutionsample_conditions_1
TOCSYsample_1solutionsample_conditions_1
COSYsample_1solutionsample_conditions_1

Software:

AutoDep v4.3, Sen et al. - collection

TOPSPIN vany, Bruker Biospin - collection

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

Analysis vany, CCPN - chemical shift assignment

CNS v2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz