BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30109

Title: Structure of Phenol-soluble modulin Alpha1   PubMed: 27525453

Deposition date: 2016-06-14 Original release date: 2016-08-26

Authors: Towle, K.; Lohans, C.; Acedo, J.; Miskolzie, M.; van Belkum, M.; Vederas, J.

Citation: Towle, K.; Lohans, C.; Miskolzie, M.; Acedo, J.; van Belkum, M.; Vederas, J.. "Solution Structures of Phenol-Soluble Modulins alpha 1, alpha 3, and beta 2, Virulence Factors from Staphylococcus aureus."  Biochemistry 55, 4798-4806 (2016).

Assembly members:
entity_1, polymer, 21 residues, 2290.827 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XGIIAGIIKVIKSLIEQFTG K

Data sets:
Data typeCount
1H chemical shifts143

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 21 residues - 2290.827 Da.

1   FMEGLYILEILEALAGLYILEILELYSVAL
2   ILELYSSERLEUILEGLUGLNPHETHRGLY
3   LYS

Samples:

sample_1: PSM Alpha1 0.77 mM

sample_conditions_1: pH: 7; pressure: 753 mmHg; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment

VNMR v4.2A, Varian - collection

NMR spectrometers:

  • Varian Varian 600 MHz