BMRB Entry 30107
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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/BMR30107
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Title: Phenol-soluble modulin Beta2 PubMed: 27525453
Deposition date: 2016-06-13 Original release date: 2016-08-26
Authors: Towle, Kaitlyn; Lohans, Chris; Acedo, Jeella; van Belkum, Marco; Miskolzie, Mark; Vederas, John
Citation: Towle, Kaitlyn; Lohans, Chris; Acedo, Jeella; van Belkum, Marco; Miskolzie, Mark; Vederas, John. "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:
Modulin Beta2, polymer, 44 residues, 4459.106 Da.
Natural source: Common Name: firmicutes Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Modulin Beta2: MTGLAEAIANTVQAAQQHDS
VKLGTSIVDIVANGVGLLGK
LFGF
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 267 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 44 residues - 4459.106 Da.
| 1 | MET | THR | GLY | LEU | ALA | GLU | ALA | ILE | ALA | ASN | ||||
| 2 | THR | VAL | GLN | ALA | ALA | GLN | GLN | HIS | ASP | SER | ||||
| 3 | VAL | LYS | LEU | GLY | THR | SER | ILE | VAL | ASP | ILE | ||||
| 4 | VAL | ALA | ASN | GLY | VAL | GLY | LEU | LEU | GLY | LYS | ||||
| 5 | LEU | PHE | GLY | PHE |
Samples:
sample_1: PSMBeta2, none, 1.9 mM
sample_conditions_1: pH: 7; pressure: 753 mmHg; temperature: 313 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 - structure calculation
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
VNMR v4.2A, Varian - collection
NMR spectrometers:
- Varian Varian 700 MHz