BMRB Entry 31012

Title:
Backbone-modified variant of the B domain of Staphylococcal protein A: beta3- and ACPC-residues in helix 2
Deposition date:
2022-04-22
Original release date:
2023-04-25
Authors:
Santhouse, J.; Leung, J.; Chong, L.; Horne, W.
Citation:

Citation: Santhouse, J.; Leung, J.; Chong, L.; Horne, W.. "Effects of Altered Backbone Composition on Protein Folded States, Unfolded States, and Folding Energetics: Integration of Simulation and Experiment"  .

Assembly members:

Assembly members:
entity_1, polymer, 59 residues, 6610.357 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: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts434

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 59 residues - 6610.357 Da.

1   ALAASPASNLYSPHEASNLYSGLUGLNGLN
2   ASNALAPHETYRGLUILELEUHISLEUPRO
3   ASNLEUASNGLUXCPGLNARGB3XALAPHE
4   ILEXCPSERLEUB3KASPASPPROSERGLN
5   SERALAASNLEULEUALAGLUALALYSLYS
6   LEUASNASPALAGLNALAPROLYSNH2

Samples:

sample_1: entity_1 1.4 mM; DSS 0.2 mM

sample_conditions_1: ionic strength: 10 mM; pH: 5 pH*; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

NMRFAM-SPARKY, Lee, Tonelli, Markley - data analysis

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE 700 MHz