BMRB Entry 30109
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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/BMR30109
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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
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 143 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2290.827 Da.
| 1 | FME | GLY | ILE | ILE | ALA | GLY | ILE | ILE | LYS | VAL | ||||
| 2 | ILE | LYS | SER | LEU | ILE | GLU | GLN | PHE | THR | GLY | ||||
| 3 | LYS |
Samples:
sample_1: PSM Alpha1 0.77 mM
sample_conditions_1: pH: 7; pressure: 753 mmHg; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_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