BMRB Entry 16028

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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/BMR16028
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Title:
NMR structure of delta-toxin from Staphylococcus aureus in CD3OH
Deposition date:
2008-11-11
Original release date:
2012-07-19
Authors:
Loureiro-Ferreira, Nuno; Rodrigues, J. Rui; Brito, Rui
Citation:

Citation: Loureiro-Ferreira, Nuno; Rodrigues, J. Rui; Birkbeck, Thomas; Brito, Rui. "Protein conformational plasticity and aggregation : transthyretin and delta-toxin as two case studies"  .

Assembly members:

Assembly members:
delta-toxin, polymer, 26 residues, 3010.574 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: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
delta-toxin: XAQDIISTIGDLVKWIIDTV NKFTKK

Data sets:
Data typeCount
1H chemical shifts206

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1delta-toxin1

Entities:

Entity 1, delta-toxin 26 residues - 3010.574 Da.

1   FMEALAGLNASPILEILESERTHRILEGLY
2   ASPLEUVALLYSTRPILEILEASPTHRVAL
3   ASNLYSPHETHRLYSLYS

Samples:

cd3oh: delta-toxin 3 mM; CD3OH 99%

cd3oh_298: pH*: 3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYcd3ohisotropiccd3oh_298
2D 1H-1H TOCSYcd3ohisotropiccd3oh_298
2D 1H-1H NOESYcd3ohisotropiccd3oh_298

Software:

FELIX v95.0, Accelrys Software Inc. - chemical shift assignment, data analysis, peak picking, processing

VNMR v6.1B, Varian - collection, processing

X-PLOR NIH v2.16.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution

ProcheckNMR v3.5.4, Laskowski and MacArthur - data analysis

InsightII v95.0, Accelrys Software Inc. - FME residue modelling

NMR spectrometers:

  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAB18545 BAB18549 BAB43122 BAB58197 BAF78903
EMBL CAA36780 CAG41103 CAQ50460 CBI49891 CBX35229
GB AAF43204 AAW36987 ABB17353 ABB17361 ABB17367
REF WP_000046022 WP_001277673 WP_001549197 WP_049313024 YP_500742
SP P0A0M1 P0A0M2 P0C1V1 Q2FWM8 Q5HEG6
AlphaFold P0A0M1 P0A0M2 P0C1V1 Q2FWM8 Q5HEG6