BMRB Entry 30106

Name: Phenol-soluble modulin Alpha 3
Published: 2016-08-26

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PDB ID: 5kgy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30106
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Phenol-soluble modulin Alpha 3

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:

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).
PubMed: 27525453

Assembly members:

Assembly members:
Phenol-soluble modulin alpha 3 peptide, polymer, 22 residues, 2639.159 Da.

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 273036 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Phenol-soluble modulin alpha 3 peptide: XEFVAKLFKFFKDLLGKFLG NN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	119

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 22 residues - 2639.159 Da.

1

FME

GLU

PHE

VAL

ALA

LYS

LEU

PHE

LYS

PHE

2

PHE

LYS

ASP

LEU

GLY

LYS

PHE

LEU

GLY

3

ASN

Samples:

sample_1: PSMalpha3, none, 0.75 mM

sample_conditions_1: pH: 7; pressure: 753 mmHg; temperature: 310 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

VNMRJ v4.2A, Varian - collection

NMR spectrometers:

Varian INOVA 700 MHz