BMRB: 16028

NMR structure of delta-toxin from Staphylococcus aureus in CD3OH

Authors

Loureiro-Ferreira, N., Rodrigues, J., Brito, R.M. M.

Assembly

CD3OH

Entity

1. CD3OH (polymer, Thiol state: not present), 26 monomers, 3006.512 Da Detail

XAQDIISTIG DLVKWIIDTV NKFTKK

Formula weight

3006.512 Da

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 96.2 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	96.2 % (153 of 159)	96.2 % (153 of 159)
Backbone	100.0 % (51 of 51)	100.0 % (51 of 51)
Sidechain	94.4 % (102 of 108)	94.4 % (102 of 108)
Aromatic	100.0 % (11 of 11)	100.0 % (11 of 11)
Methyl	85.0 % (17 of 20)	85.0 % (17 of 20)

1. delta-toxin

XAQDIISTIG DLVKWIIDTV NKFTKK

Show sample condition

Sample

Solvent system methanol, Pressure 1 atm, Temperature 298 K, Details delta-toxin powder was dissolved in CD3OH 99 atom % in D

#	Name	Isotope labeling	Type	Concentration
1	delta-toxin	natural abundance		3 mM
2	CD3OH	natural abundance		99 %

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Calculated from 20 models in PDB: 2KAM, Strand ID: A Detail

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Release date

2012-07-18

Citation

Protein conformational plasticity and aggregation : transthyretin and delta-toxin as two case studies
Loureiro-Ferreira, N., Rodrigues, J., Birkbeck, T.H., Brito, R.M. M.

Related entities 1. CD3OH, : 1 : 5 : 2 entities Detail

Experiments performed 3 experiments Detail